474	466	770	0:SP3_SP2_SP3	C[5,6]	C[6]	B	4:3:4:3:	4:3:4:1:	4:2:2:	Si[5,6]-4:C[5,6a]-3:C[6]-4:B-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O-2:O-2:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO)	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	B(C[5,6]C[5,6a]Si[5,6]C[6])(OH)2	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO){1|C<4>,6|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	B(C[5,6]C[5,6a]Si[5,6]C[6])(OH)2	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1
474	466	786	0:SP3_SP3_SP3	C[5,6]	C[6]	B[5]	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2	B[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]P[5]O)	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|C<3>,3|H<1>}	B[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]P[5]O){2|C<4>,3|H<1>,4|F<1>,6|C<3>}	118.2698	1.341	4	118.2698	1.797	4	118.2698	1.797	4	118.2698	1.797	4	118.2698	1.797	4	118.2698	1.797	4
474	466	790	0:SP3_SP-NON_SP3	C[5,3x6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,4x6]-4:C[6,6]-4:Cl-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2	Cl(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|H<1>,4|C<4>}	Cl(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	109.3810	2.560	7
474	466	790	0:SP3_SP-NON_SP3	C[5,6,6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:Cl-1:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	Cl(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl){1|Cl<1>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	Cl(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	109.3810	2.560	7
474	466	790	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Cl	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl)	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2	Cl(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl){1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	Cl(C[5,6]C[5,6a]C[5,6]C[6])	107.8370	0.549	2	107.8370	0.301	2	107.8370	0.301	2	107.8370	0.301	2	109.2315	2.702	4	109.3810	2.560	7
474	466	790	0:SP3_SP-NON_SP3	C[5,6]	C[6]	Cl	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2	Cl(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	Cl(C[5,6]C[5,6]C[5]C[6])	110.6260	0.161	2	110.6260	0.026	2	110.6260	0.026	2	110.6260	0.026	2	109.2315	2.702	4	109.3810	2.560	7
474	466	790	0:SP3_SP-NON_SP3	C[5]	C[6]	Cl	3:3:4:1:	4:4:4:1:	4:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H)	Cl(C[5]C[5]2C[6])	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H){2|H<1>,3|C<3>,4|C<4>}	Cl(C[5]C[5]2C[6])	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	109.3810	2.560	7
474	466	813	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5,5a]	3:3:4:1:	4:4:2:1:	3:4:3:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	111.8745	13.640	2	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5,5a]	3:4:4:1:	4:4:1:1:	4:3:3:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	111.8745	13.640	2	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5]	C[6]	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	112.6650	0.000	1	112.6650	0.000	1	113.0773	1.419	6	113.0773	1.419	6	113.0773	1.419	6	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5]	C[6]	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	112.7605	0.682	2	112.7605	0.466	2	113.0773	1.419	6	113.0773	1.419	6	113.0773	1.419	6	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5]	C[6]	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	111.4510	0.000	1	112.8570	3.954	2	113.0773	1.419	6	113.0773	1.419	6	113.0773	1.419	6	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5]	C[6]	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	114.2630	0.000	1	112.8570	3.954	2	113.0773	1.419	6	113.0773	1.419	6	113.0773	1.419	6	112.5932	3.166	9
474	466	813	0:SP3_SP2_SP3	C[5]	C[6]	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	114.5640	0.000	1	114.5640	0.000	1	113.0773	1.419	6	113.0773	1.419	6	113.0773	1.419	6	112.5932	3.166	9
474	466	813	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5,5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	108.8921	4.255	10
474	466	813	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5a,6]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	110.5705	0.112	2	110.5705	0.013	2	110.5705	0.013	2	109.2690	5.088	3	108.6383	4.063	9	108.8921	4.255	10
474	466	813	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5a,6]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	109.2690	5.088	3	108.6383	4.063	9	108.8921	4.255	10
474	466	813	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5a,6]	3:3:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	107.7445	1.142	2	107.7445	1.304	2	107.7445	1.304	2	107.7445	1.304	2	108.6383	4.063	9	108.8921	4.255	10
474	466	813	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5a,6]	3:3:4:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	109.6860	1.482	3	109.6860	2.197	3	109.6860	2.197	3	109.6860	2.197	3	108.6383	4.063	9	108.8921	4.255	10
474	466	813	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5a,6]	3:4:4:2:	4:2:1:1:	4:3:2:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){2|C<4>,2|O<2>,6|H<1>}	105.3910	0.000	1	105.3910	0.000	1	105.3910	0.000	1	105.3910	0.000	1	108.6383	4.063	9	108.8921	4.255	10
474	466	813	6:SP3_SP3_SP3	C[5,6]	C[6]	N[5a,6]	3:3:4:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1
474	466	818	0:SP3_SP2_SP3	C[3x5,3x6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6]-4:	C[3x5,3x6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:O-1:	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH)	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,3x6]C[3x5,3x6]2C[6])(O)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,3x6]C[3x5,3x6]2C[6])(O){1|C<3>,5|C<4>,5|H<1>}	118.9210	0.187	2	118.9210	0.035	2	118.9210	0.035	2	118.9210	0.035	2	118.9210	0.035	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[3x5,4x6]	C[6,6]	C[5,5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3x5,5x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6,6]-4:	C[3x5,4x6]-4:C[3x6]-4:H-1:H-1:	C[3x5,4x6]-4:C[3x5,6,6]-4:O-1:	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH)	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2	C[5,5](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O)	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2{1|O<1>,2|C<3>,5|H<1>,6|C<4>}	C[5,5](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O){5|H<1>,6|C<4>}	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[3x5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<3>,6|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	119.9193	1.032	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[3x5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<4>,7|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){2|O<2>,3|H<1>,4|C<4>}	118.8280	0.000	1	118.8280	0.000	1	118.8280	0.000	1	118.8280	0.000	1	119.9193	1.032	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[3x5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:3:1:	C[3,5,5,6,6]-4:C[4x5]-4:C[6]-4:C[5,6]-3:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H){1|Sn<4>,2|C<3>,5|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	119.9193	1.032	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:3:3:1:	4:3:2:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5])	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	3:4:3:3:	4:4:4:1:	4:3:1:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.8600	1.055	2	115.8600	1.113	2	115.8600	1.113	2	115.8600	1.113	2	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:2:3:	4:3:3:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|Br<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	113.3100	2.219	2	113.3100	4.924	2	113.3100	4.924	2	111.9134	2.938	5	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:2:3:	4:3:3:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	111.0780	0.523	2	110.9823	0.164	3	110.9823	0.164	3	111.9134	2.938	5	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:2:3:	4:3:3:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	110.7910	0.000	1	110.9823	0.164	3	110.9823	0.164	3	111.9134	2.938	5	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:2:3:	4:3:3:3:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:2:2:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	117.2700	0.000	1	117.2700	0.000	1	117.8487	2.666	6	117.8487	2.666	6	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:2:2:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	118.0170	2.886	2	118.1910	3.967	4	117.8487	2.666	6	117.8487	2.666	6	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:2:2:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	118.3650	1.857	2	118.1910	3.967	4	117.8487	2.666	6	117.8487	2.666	6	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:2:2:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O){3|H<1>,3|O<2>,4|C<4>}	117.0580	0.000	1	117.0580	0.000	1	117.8487	2.666	6	117.8487	2.666	6	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:3:1:	4:2:1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:O[5]-2:O-1:	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(O[5]C[5,6])(O)	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(O[5]C[5,6])(O){1|Br<1>,1|C<3>,4|C<4>,4|H<1>}	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:3:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(N[5]C[6a]C[5])(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:O-1:	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(O[5]C[5,6])(O)	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(O[5]C[5,6])(O){1|Br<1>,1|C<3>,4|C<4>,4|H<1>}	104.0310	0.000	1	104.0310	0.000	1	104.0310	0.000	1	106.0554	2.068	5	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:O-1:	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(O[5]C[5,6,6])(O)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|C<4>,5|O<2>,7|H<1>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(O[5]C[5,6,6])(O){3|H<1>,3|O<2>,4|C<4>}	106.5615	1.025	4	106.5615	1.050	4	106.5615	1.050	4	106.0554	2.068	5	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	104.4360	0.000	1	104.4360	0.000	1	104.4360	0.000	1	106.8697	6.427	7	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	109.9070	0.000	1	109.9070	0.000	1	107.2753	6.331	6	106.8697	6.427	7	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	107.6680	0.000	1	107.6680	0.000	1	107.2753	6.331	6	106.8697	6.427	7	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	109.2490	0.000	1	106.1230	10.202	3	107.2753	6.331	6	106.8697	6.427	7	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	104.5600	2.397	2	106.1230	10.202	3	107.2753	6.331	6	106.8697	6.427	7	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O){3|H<1>,3|O<2>,4|C<4>}	107.7080	0.000	1	107.7080	0.000	1	107.2753	6.331	6	106.8697	6.427	7	111.1541	24.069	29	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:3:3:4:	4:4:1:1:	4:4:2:	C[4x6]-4:C[5,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH)	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2{1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){2|C<4>,4|C<3>,5|H<1>}	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:3:	4:4:4:4:	4:3:1:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH)	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,5|C<4>}	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,6|C<3>}	114.1520	0.000	1	114.1520	0.000	1	113.6840	0.457	5	113.6840	0.457	5	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	113.5670	0.720	4	113.5670	0.519	4	113.6840	0.457	5	113.6840	0.457	5	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:3:3:	4:3:2:2:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	C[5,3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	110.3710	0.000	1	110.3710	0.000	1	117.0595	89.472	2	117.0595	89.472	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:3:3:	4:3:2:2:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	C[5,3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.7480	0.000	1	123.7480	0.000	1	117.0595	89.472	2	117.0595	89.472	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	111.1115	0.452	2	111.1115	0.204	2	111.1115	0.204	2	111.1115	0.204	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:O-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	117.2280	0.000	1	117.2280	0.000	1	114.1335	19.152	2	114.1335	19.152	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:O-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	111.0390	0.000	1	111.0390	0.000	1	114.1335	19.152	2	114.1335	19.152	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:3:	4:3:2:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	119.2675	1.061	2	119.2675	1.127	2	119.2675	1.127	2	119.2675	1.127	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:O-1:	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(O)	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O){1|Si<4>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(O){3|H<1>,3|O<2>,4|C<4>}	117.9495	0.387	2	117.9495	0.150	2	117.9495	0.150	2	117.9495	0.150	2	115.3015	14.584	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5,6,6]	3:3:4:4:	4:3:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.4585	0.187	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5,6,6]	3:4:3:4:	4:3:1:1:	4:4:3:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	112.1530	0.000	1	112.1530	0.000	1	112.1530	0.000	1	112.1530	0.000	1	112.4585	0.187	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.3260	0.000	1	109.3260	0.000	1	109.3785	0.006	2	109.3785	0.006	2	110.3613	2.901	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.4310	0.000	1	109.4310	0.000	1	109.3785	0.006	2	109.3785	0.006	2	110.3613	2.901	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	110.3613	2.901	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(N[5]C[6a]C[5])(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	114.3196	14.150	5	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,3x6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:O[5]-2:O-1:	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(O[5]C[5,6,6])(O)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(O[5]C[5,6,6])(O){3|H<1>,3|O<2>,4|C<4>}	115.9433	1.136	4	115.9433	1.291	4	115.9433	1.291	4	115.9433	1.291	4	114.3196	14.150	5	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:O[5]-2:O-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.4210	0.390	2	107.8520	0.262	18	107.8520	0.262	18	107.8520	0.262	18	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:O[5]-2:O-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.7355	1.170	2	107.8520	0.262	18	107.8520	0.262	18	107.8520	0.262	18	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:O[5]-2:O-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.9480	0.480	10	107.8520	0.262	18	107.8520	0.262	18	107.8520	0.262	18	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:O[5]-2:O-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.9570	0.470	2	107.8520	0.262	18	107.8520	0.262	18	107.8520	0.262	18	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:O[5]-2:O-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.8145	0.342	2	107.8520	0.262	18	107.8520	0.262	18	107.8520	0.262	18	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5]-3:O-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|O<2>,6|H<1>}	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	105.4610	0.000	1	105.4610	0.000	1	106.4620	2.004	2	106.4620	2.004	2	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5]-3:O-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	107.4630	0.000	1	107.4630	0.000	1	106.4620	2.004	2	106.4620	2.004	2	107.7130	0.522	20	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,4x6]	C[4x6]	C[5]	4:4:4:3:	4:4:2:2:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[5,4x6]-4:C[5]-3:O-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	119.3855	0.319	2	119.3855	0.102	2	119.3855	0.102	2	119.3855	0.102	2	119.3855	0.102	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,5,3x6]-4:C[5,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,5,3x6]-4:O[5]-2:O-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[3x6])(O[5]C[5])(O)	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[5](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[3x6])(O[5]C[5])(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	106.1690	0.441	2	106.1690	0.195	2	106.1690	0.195	2	106.1690	0.195	2	106.1690	0.195	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,3x6]	C[6,6]	C[5,6]	4:4:2:3:	4:4:1:1:	4:4:1:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:O-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2	C[5,6](C[5,5,3x6]C[5,5,3x6]C[6,6]O[5,6])(C[5,6]C[5,5,6,6]HH)(O)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	C[5,6](C[5,5,3x6]C[5,5,3x6]C[6,6]O[5,6])(C[5,6]C[5,5,6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x6]	C[5]	4:4:3:3:	4:4:4:4:	4:2:1:	C[5,5,6]-4:C[3x6]-4:C[5,6]-3:C[5]-3:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O)	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[5](C[5,5,6,6]C[5,5,6]C[3x6]C[5,6])(O[5]C[5])(O)	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6,6]C[5,5,6]C[3x6]C[5,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	114.2420	9.801	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:3:3:1:	4:3:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<4>,4|C<3>,4|H<1>}	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	114.2420	9.801	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:4:	4:2:1:	C[3x5,6]-4:C[3,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,6,6]-4:C[4x6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[3,5,6]C[5,6,6]C[3]O[3])(C[3x6]C[4x6]C[6]C)(C[5]O[5]O)	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3)	C[5](C[5,5,6,6]C[3,5,6]C[3x5,6]C[3x6])(O[5]C[5])(O)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[3,5,6]C[5,6,6]C[3]O[3])(C[3x6]C[4x6]C[6]C)(C[5]O[5]O){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3){1|C<3>,1|O<1>,3|H<1>,5|O<2>,6|C<4>}	C[5](C[5,5,6,6]C[3,5,6]C[3x5,6]C[3x6])(O[5]C[5])(O){1|H<1>,2|O<2>,7|C<4>}	114.8275	0.868	4	114.8275	0.753	4	114.8275	0.753	4	114.8275	0.753	4	114.2420	9.801	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	118.6370	0.000	1	117.6397	0.902	3	117.6397	0.902	3	117.6397	0.902	3	117.6397	0.902	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	116.7460	0.000	1	117.6397	0.902	3	117.6397	0.902	3	117.6397	0.902	3	117.6397	0.902	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	117.5360	0.000	1	117.6397	0.902	3	117.6397	0.902	3	117.6397	0.902	3	117.6397	0.902	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:2:3:	4:3:4:1:	4:3:1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	121.1593	0.789	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:2:3:	4:3:4:1:	4:3:3:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]C)(COO)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]C)(COO){1|N<3>,3|C<4>,3|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	121.1593	0.789	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:3:2:	4:4:4:1:	4:3:1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6]){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,5|C<4>}	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	121.1593	0.789	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,5]	3:3:4:4:	4:4:1:1:	4:4:1:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O){2|C<4>,3|C<3>,6|H<1>}	119.0520	0.000	1	119.0520	0.000	1	119.0520	0.000	1	119.0520	0.000	1	117.8395	2.940	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	116.6270	0.000	1	116.6270	0.000	1	116.6270	0.000	1	116.6270	0.000	1	117.8395	2.940	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	3:2:3:4:	4:3:1:1:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6225	0.432	2	120.6225	0.187	2	120.6225	0.187	2	120.6225	0.187	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	3:2:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:2:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	121.7113	0.861	3	121.7113	0.741	3	121.7113	0.741	3	121.0787	2.094	4	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:2:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|S<2>,2|C<4>,4|H<1>}	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	121.0787	2.094	4	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:2:1:1:	4:3:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	120.7895	0.473	2	121.0087	0.310	6	120.8774	0.561	18	120.8774	0.561	18	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.1183	0.627	4	121.0087	0.310	6	120.8774	0.561	18	120.8774	0.561	18	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	120.2675	0.459	6	120.2675	0.211	6	120.8774	0.561	18	120.8774	0.561	18	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	121.1160	1.107	2	121.5656	0.475	5	120.8774	0.561	18	120.8774	0.561	18	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	121.8653	0.032	3	121.5656	0.475	5	120.8774	0.561	18	120.8774	0.561	18	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	120.3090	0.000	1	120.3090	0.000	1	120.8774	0.561	18	120.8774	0.561	18	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:3:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(COO)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(COO){1|N<3>,2|C<4>,4|H<1>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	122.1215	0.955	2	122.1215	0.913	2	121.5690	1.372	3	121.5690	1.372	3	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	120.4640	0.000	1	120.4640	0.000	1	121.5690	1.372	3	121.5690	1.372	3	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	118.6250	0.000	1	118.6250	0.000	1	118.2370	0.301	2	118.2370	0.301	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|O<2>,2|O<1>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	117.8490	0.000	1	117.8490	0.000	1	118.2370	0.301	2	118.2370	0.301	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.8020	0.000	1	117.8020	0.000	1	118.6565	1.460	2	118.6565	1.460	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:3:4:	4:4:2:1:	4:3:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.5110	0.000	1	119.5110	0.000	1	118.6565	1.460	2	118.6565	1.460	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:4:4:	4:4:1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<2>,2|O<1>,5|C<4>}	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:3:2:1:	4:4:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(O){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	116.6794	0.172	7	116.6794	0.030	7	116.6794	0.030	7	116.6794	0.030	7	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:3:4:1:	4:2:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:O-1:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(O[5,6]C[5,5,6])(O)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(O[5,6]C[5,5,6])(O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	113.8595	0.206	2	113.8595	0.042	2	113.8595	0.042	2	113.8595	0.042	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:2:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:O-1:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(O[5,6]C[5,5,6])(O)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(O[5,6]C[5,5,6])(O){2|O<2>,3|H<1>,4|C<4>}	114.0260	0.525	2	114.0260	0.275	2	114.0260	0.275	2	114.0260	0.275	2	119.3298	6.821	46	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5]	4:3:4:3:	4:4:4:4:	4:2:1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5,6,6]C[3x5,6,6]C[5,6]C[6])(O[5]C[5])(O){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	108.3612	0.975	5	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:N[5]-3:O-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	108.4475	0.367	2	108.4475	0.135	2	108.4475	0.135	2	108.4475	0.135	2	108.3612	0.975	5	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	108.3612	0.975	5	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.3612	0.975	5	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5]	4:3:4:3:	4:3:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	116.6900	0.000	1	116.3890	0.181	2	116.3890	0.181	2	116.3890	0.181	2	117.0610	0.715	4	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5]	4:3:4:3:	4:3:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	116.0880	0.000	1	116.3890	0.181	2	116.3890	0.181	2	116.3890	0.181	2	117.0610	0.715	4	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5]	4:3:4:3:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	117.4530	0.000	1	117.7330	0.157	2	117.7330	0.157	2	117.7330	0.157	2	117.0610	0.715	4	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5]	4:3:4:3:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	118.0130	0.000	1	117.7330	0.157	2	117.7330	0.157	2	117.7330	0.157	2	117.0610	0.715	4	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5]	3:3:4:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){2|Cl<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	111.8792	8.542	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){1|Br<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C){1|Br<1>,2|H<1>,3|C<4>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	111.8792	8.542	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:3:	4:2:1:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H){1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.8792	8.542	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H){1|O<1>,3|C<4>,6|H<1>}	110.6820	0.000	1	110.6820	0.000	1	110.6913	1.376	3	110.6913	1.376	3	111.8792	8.542	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C){1|O<1>,1|S<4>,2|C<4>,5|H<1>}	111.8690	0.000	1	111.8690	0.000	1	110.6913	1.376	3	110.6913	1.376	3	111.8792	8.542	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	109.5230	0.000	1	109.5230	0.000	1	110.6913	1.376	3	110.6913	1.376	3	111.8792	8.542	6	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|H<1>,6|C<4>}	110.7540	0.000	1	110.7540	0.000	1	111.8180	2.264	2	111.8180	2.264	2	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|H<1>,6|C<4>}	112.8820	0.000	1	112.8820	0.000	1	111.8180	2.264	2	111.8180	2.264	2	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:3:	4:4:4:1:	4:3:1:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,3|C<4>,4|H<1>}	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:3:	4:2:1:1:	4:3:3:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[3x5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	C[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H)	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.8410	0.591	2	115.8410	0.349	2	115.8410	0.349	2	115.8410	0.349	2	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:2:2:1:	4:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]C)(CCO)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]C)(CCO){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	112.7950	0.000	2	112.7950	0.000	2	112.7950	0.000	2	112.7950	0.000	2	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:2:2:1:	4:3:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:N[5]-3:C-4:	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	112.5320	0.000	2	112.5320	0.000	2	112.5320	0.000	2	112.5320	0.000	2	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<2>,2|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	108.8380	0.000	1	108.8380	0.000	1	108.6785	0.051	2	109.4743	1.925	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O){1|C<4>,3|C<3>,6|H<1>}	108.5190	0.000	1	108.5190	0.000	1	108.6785	0.051	2	109.4743	1.925	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:Br-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	109.4743	1.925	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OSi)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OSi){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	108.5065	0.444	4	108.5065	0.197	4	108.8338	0.684	5	108.8338	0.684	5	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HO)(O)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HO)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.1430	0.000	1	110.1430	0.000	1	108.8338	0.684	5	108.8338	0.684	5	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]2C[6])(O[5]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2C[6])(O[5]C[5])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	111.0554	11.549	8	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	107.9207	0.470	3	107.9207	0.221	3	107.9207	0.221	3	111.0554	11.549	8	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,3|C<4>,6|H<1>}	117.0180	0.000	1	117.0180	0.000	1	117.0180	0.000	1	111.0554	11.549	8	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.9930	0.000	1	112.9323	0.004	3	112.9323	0.004	3	111.0554	11.549	8	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.9020	0.054	2	112.9323	0.004	3	112.9323	0.004	3	111.0554	11.549	8	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H){1|C<3>,3|C<4>,6|H<1>}	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	108.7207	1.875	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	107.2510	0.000	1	107.2510	0.000	1	108.6060	3.672	2	108.7207	1.875	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	109.9610	0.000	1	109.9610	0.000	1	108.6060	3.672	2	108.7207	1.875	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5,6]HH)(O)	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5,6]HH)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	107.9940	0.000	1	107.9940	0.000	1	107.8920	0.021	2	109.9583	12.820	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<3>,2|C<4>,6|H<1>}	107.7900	0.000	1	107.7900	0.000	1	107.8920	0.021	2	109.9583	12.820	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<4>,9|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	109.9583	12.820	3	111.0481	9.120	33	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(O[5]C[5,6,6])(O)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O){3|C<4>,4|O<2>,5|H<1>}	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(O[5]C[5,6,6])(O){1|O<2>,4|H<1>,5|C<4>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5x6]	C[4x6]	C[5]	4:4:4:3:	4:4:2:2:	4:4:1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[5,5x6]-4:C[5]-4:O-1:	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O){3|H<1>,3|O<2>,4|C<4>}	122.2890	0.000	1	122.2890	0.000	1	122.2890	0.000	1	122.2890	0.000	1	116.2670	72.529	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,5x6]	C[4x6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,5x6]-4:C[5x6]-4:C[6]-4:H-1:	C[5,5x6]-4:C[5]-4:O-1:	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H)	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H){1|O<1>,3|O<2>,5|C<4>,7|H<1>}	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O){3|H<1>,3|O<2>,4|C<4>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	116.2670	72.529	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	120.5130	0.000	1	120.5130	0.000	1	120.5130	0.000	1	120.5130	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:3:4:	4:4:3:1:	4:3:1:	N[5,6,6]-3:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH)	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	114.7540	0.000	1	114.7540	0.000	1	114.7540	0.000	1	114.7540	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	106.0410	0.000	1	106.0410	0.000	1	108.5280	12.370	2	108.5280	12.370	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,4|C<3>}	111.0150	0.000	1	111.0150	0.000	1	108.5280	12.370	2	108.5280	12.370	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	108.7130	1.205	2	108.7130	1.452	2	108.7130	1.452	2	108.7130	1.452	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:2:3:	4:3:3:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:3:3:	3:3:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[5]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H)	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2{3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H){1|C<4>,2|H<1>,3|O<1>,6|C<3>}	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	113.1335	0.336	2	113.1335	0.113	2	113.1335	0.113	2	113.1335	0.113	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:3:4:	4:4:3:1:	4:3:1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	109.5490	2.130	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	109.5490	2.130	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7790	0.000	2	111.0956	0.354	10	111.0956	0.354	10	111.0956	0.354	10	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.3040	0.124	2	111.0956	0.354	10	111.0956	0.354	10	111.0956	0.354	10	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.4333	0.305	4	111.0956	0.354	10	111.0956	0.354	10	111.0956	0.354	10	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.0800	0.000	1	111.0956	0.354	10	111.0956	0.354	10	111.0956	0.354	10	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|O<1>,1|P<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.9770	0.000	1	111.0956	0.354	10	111.0956	0.354	10	111.0956	0.354	10	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.7435	1.231	2	112.7435	1.516	2	112.7435	1.516	2	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.3160	0.000	1	111.5030	0.925	9	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5264	1.025	8	111.5030	0.925	9	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.3605	0.218	2	112.3605	0.048	2	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.3615	0.826	10	112.3615	0.682	10	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.8935	0.945	2	112.8935	0.894	2	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.7280	0.000	1	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.9940	0.000	1	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.8730	0.641	4	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	112.3660	0.392	2	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.2271	1.017	67	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.3300	0.000	1	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.7720	0.000	1	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.7260	0.000	1	111.2178	1.082	78	111.4123	1.160	101	111.4381	1.186	103	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:2:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|P<2>,2|C<3>}	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:2:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	110.2055	0.394	2	110.2055	0.155	2	111.2320	3.239	3	111.8092	3.492	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:2:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	113.2850	0.000	1	113.2850	0.000	1	111.2320	3.239	3	111.8092	3.492	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:2:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|P<2>,4|C<3>}	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	111.8092	3.492	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:3:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.7230	0.000	2	112.7230	0.000	2	112.7230	0.000	2	112.7230	0.000	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.8790	0.390	2	113.8790	0.152	2	112.9102	1.460	4	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.9415	0.688	2	111.9415	0.473	2	112.9102	1.460	4	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.0840	0.988	3	113.0840	0.977	3	112.7550	1.210	11	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.0870	0.020	2	113.4038	0.628	4	112.7550	1.210	11	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.7205	0.122	2	113.4038	0.628	4	112.7550	1.210	11	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]O)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.2335	0.650	2	112.2335	0.422	2	112.7550	1.210	11	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.5020	0.000	1	112.5020	0.000	1	112.7550	1.210	11	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:3:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	110.4690	0.000	1	110.4690	0.000	1	112.7550	1.210	11	112.7964	1.182	15	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.7610	0.000	1	111.7610	0.000	1	111.3498	0.621	8	111.3498	0.621	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.4975	0.397	2	111.2910	0.692	7	111.3498	0.621	8	111.3498	0.621	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.2010	0.000	1	111.2910	0.692	7	111.3498	0.621	8	111.3498	0.621	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.4603	0.932	4	111.2910	0.692	7	111.3498	0.621	8	111.3498	0.621	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.0930	0.338	2	111.0930	0.114	2	111.0930	0.114	2	112.1857	1.652	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.2785	0.254	2	113.2785	0.064	2	113.2785	0.064	2	112.1857	1.652	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	3:4:4:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	111.8852	1.177	4	111.8852	1.385	4	111.8852	1.385	4	111.8852	1.385	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-2:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:2:1:	4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.4255	0.578	2	111.4255	0.334	2	111.4255	0.334	2	111.4255	0.334	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:2:3:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:1:	4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.2390	1.031	2	112.2390	1.063	2	112.2390	1.063	2	111.7168	0.873	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	111.7168	0.873	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.7168	0.873	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:1:	4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7800	0.000	1	110.7800	0.000	1	110.7800	0.000	1	110.7800	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:2:	4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.0540	0.024	2	113.0540	0.001	2	113.0540	0.001	2	113.0540	0.001	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	116.5880	1.195	4	116.7486	1.200	5	116.7486	1.200	5	116.7486	1.200	5	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	117.3910	0.000	1	116.7486	1.200	5	116.7486	1.200	5	116.7486	1.200	5	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:4:4:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.8360	0.000	1	112.8360	0.000	1	112.5915	0.120	2	112.5915	0.120	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:3:4:4:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.3470	0.000	1	112.3470	0.000	1	112.5915	0.120	2	112.5915	0.120	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.2680	1.470	3	114.2680	2.160	3	114.2680	2.160	3	115.7279	3.606	7	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	114.6980	0.000	1	114.6980	0.000	1	116.8227	2.043	4	115.7279	3.606	7	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	117.5310	0.234	3	117.5310	0.055	3	116.8227	2.043	4	115.7279	3.606	7	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.5915	0.970	4	111.5915	0.941	4	111.5915	0.941	4	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.8960	0.000	1	110.8960	0.000	1	110.7672	0.136	5	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7350	0.418	4	110.7350	0.174	4	110.7672	0.136	5	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.8200	0.000	1	110.8200	0.000	1	111.4699	0.473	8	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.5960	0.000	1	112.5960	0.000	1	111.4699	0.473	8	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.3890	0.000	1	111.1267	0.456	3	111.4699	0.473	8	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.4955	0.309	2	111.1267	0.456	3	111.4699	0.473	8	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.2580	0.000	1	111.2580	0.000	1	111.4699	0.473	8	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.8525	0.138	2	111.8525	0.019	2	111.4699	0.473	8	111.2918	0.542	17	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.9580	0.417	2	112.9580	0.174	2	112.9580	0.174	2	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.3470	0.000	1	111.5570	0.088	2	111.5570	0.088	2	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.7670	0.000	1	111.5570	0.088	2	111.5570	0.088	2	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7890	0.482	4	110.7890	0.233	4	111.0892	1.667	14	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.5540	1.487	8	111.5540	2.211	8	111.0892	1.667	14	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.8305	0.496	2	109.8305	0.246	2	111.0892	1.667	14	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	113.2810	0.000	1	113.2810	0.000	1	113.2810	0.000	1	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	113.6495	0.267	2	113.6495	0.071	2	113.6495	0.071	2	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.7800	0.643	2	110.2595	0.458	4	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.7390	0.204	2	110.2595	0.458	4	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.9685	0.832	2	112.9685	0.693	2	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.8440	1.013	2	111.8440	1.025	2	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.9960	1.462	2	111.9960	2.138	2	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.7840	0.415	4	111.7840	0.172	4	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.5850	0.000	1	112.5850	0.000	1	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.6050	0.000	1	109.6050	0.000	1	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.5960	0.000	1	113.5960	0.000	1	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.9290	0.000	1	111.9290	0.000	1	111.6392	1.545	18	111.5859	2.263	43	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:2:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.3510	0.000	1	112.5860	0.110	2	112.5860	0.110	2	112.5860	0.110	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:2:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.8210	0.000	1	112.5860	0.110	2	112.5860	0.110	2	112.5860	0.110	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:2:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.4970	0.000	1	112.4970	0.000	1	113.5233	0.813	3	113.5233	0.813	3	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:2:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.0365	0.216	2	114.0365	0.047	2	113.5233	0.813	3	113.5233	0.813	3	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:2:	4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:3:	4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	111.3430	0.181	2	111.3430	0.033	2	111.3430	0.033	2	111.3430	0.033	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	112.1300	0.000	1	112.1300	0.000	1	112.8567	0.406	3	112.7186	0.556	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	113.2200	0.144	2	113.2200	0.021	2	112.8567	0.406	3	112.7186	0.556	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.9925	0.581	2	112.9925	0.337	2	112.6358	0.747	5	112.7186	0.556	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.9985	0.254	2	112.9985	0.064	2	112.6358	0.747	5	112.7186	0.556	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	111.1970	0.000	1	111.1970	0.000	1	112.6358	0.747	5	112.7186	0.556	8	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	114.2125	2.658	2	114.2125	7.065	2	113.3412	1.890	6	113.3412	1.890	6	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	112.9055	0.190	4	112.9055	0.036	4	113.3412	1.890	6	113.3412	1.890	6	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,4|C<4>}	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:2:	4:4:2:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	116.0670	0.000	1	116.0670	0.000	1	116.0670	0.000	1	116.0670	0.000	1	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:2:	4:4:2:2:	4:3:3:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6])	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	108.6725	0.265	2	108.6725	0.070	2	108.6725	0.070	2	108.6725	0.070	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:4:2:2:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.5780	1.095	2	107.6870	2.981	3	107.8115	2.049	4	107.8115	2.049	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:4:2:2:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O){2|H<1>,2|O<2>,3|C<4>}	105.9050	0.000	1	107.6870	2.981	3	107.8115	2.049	4	107.8115	2.049	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:4:2:2:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O){2|H<1>,2|O<2>,3|C<4>}	108.1850	0.000	1	108.1850	0.000	1	107.8115	2.049	4	107.8115	2.049	4	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	109.8590	18.483	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	112.8990	0.000	1	112.8990	0.000	1	112.8990	0.000	1	109.8590	18.483	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	110.7085	0.930	2	110.7085	0.865	2	110.7085	0.865	2	110.7085	0.865	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	111.6425	2.405	2	111.6425	5.783	2	111.6425	5.783	2	111.6425	5.783	2	111.8178	3.569	287	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[4x6]	C[5]	4:4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.4136	0.649	7	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[4x6]	C[5]	4:4:3:1:	4:4:3:4:	4:2:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(O[5]C[5])(O)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.5135	0.200	2	113.5135	0.040	2	113.5135	0.040	2	113.5135	0.040	2	113.4136	0.649	7	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[4x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.6230	0.000	1	114.6230	0.000	1	113.3590	3.195	2	113.4143	1.264	4	113.4136	0.649	7	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[4x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	112.0950	0.000	1	112.0950	0.000	1	113.3590	3.195	2	113.4143	1.264	4	113.4136	0.649	7	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[4x6]	C[5]	4:4:3:1:	4:4:3:4:	4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.4695	0.764	2	113.4695	0.584	2	113.4695	0.584	2	113.4143	1.264	4	113.4136	0.649	7	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[5x6]	C[5]	4:4:3:1:	4:4:3:3:	4:3:1:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,5]	4:3:4:4:	4:4:4:4:	4:4:3:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	115.3390	0.000	1	115.3390	0.000	1	115.3905	0.005	2	115.3905	0.005	2	115.3905	0.005	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,5]	4:3:4:4:	4:4:4:4:	4:4:3:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	115.4420	0.000	1	115.4420	0.000	1	115.3905	0.005	2	115.3905	0.005	2	115.3905	0.005	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:3:4:	4:3:3:4:	4:3:3:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.0757	6.777	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:2:4:	4:3:4:1:	4:3:4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	110.0757	6.777	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:4:	4:3:3:4:	4:3:3:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	110.0757	6.777	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:3:4:2:	4:4:4:4:	4:3:3:	N[5,6]-3:C[5]-3:C[6,6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH)	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>,4|C<4>}	118.1550	0.069	2	118.1550	0.005	2	118.1550	0.005	2	118.1550	0.005	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:3:4:3:	4:4:4:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	113.2330	0.000	1	113.2330	0.000	1	113.2330	0.000	1	113.2330	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:3:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:N[5,6]-3:C[5]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|I<1>,1|O<1>,4|H<1>,7|C<3>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	112.0100	2.261	2	112.0100	5.114	2	112.0100	5.114	2	112.0100	5.114	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:3:3:	4:4:4:4:	4:3:1:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH)	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	112.6540	0.000	2	112.6540	0.000	2	112.6540	0.000	2	112.6540	0.000	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:C-2:C-2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	110.5025	1.008	2	110.5025	1.015	2	110.2777	0.659	3	110.2777	0.659	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,4|C<3>}	109.8280	0.000	1	109.8280	0.000	1	110.2777	0.659	3	110.2777	0.659	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:3:	4:4:4:2:	4:4:3:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(CCO)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(CCO){1|O<2>,4|C<4>,4|H<1>}	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:3:	4:4:3:1:	4:3:1:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	109.2980	0.417	2	109.2980	0.174	2	109.2980	0.174	2	109.2980	0.174	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:3:	4:4:3:1:	4:3:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:3:3:	4:3:2:1:	4:3:3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:3:3:	4:3:4:1:	4:3:1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:3:3:	4:3:4:1:	4:3:4:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:3:4:	4:3:2:1:	4:3:3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.1560	0.000	1	112.1560	0.000	1	111.6350	0.543	2	111.6350	0.543	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.1140	0.000	1	111.1140	0.000	1	111.6350	0.543	2	111.6350	0.543	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:4:1:	4:2:1:	C[5,5,6]-4:C[6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(O){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:3:3:1:	4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(O){1|O<2>,2|H<1>,4|C<3>}	110.5200	1.642	2	110.5200	2.696	2	110.5200	2.696	2	110.5200	2.696	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:Br-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br)	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]Br)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]Br)(O[5]C[5,6,6])(O){1|N<3>,2|C<4>,4|H<1>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	109.7330	1.057	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O){1|N<3>,2|C<4>,4|H<1>}	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	109.7330	1.057	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	122.7135	1.623	2	122.7135	2.634	2	122.7135	2.634	2	122.7135	2.634	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	118.9223	0.127	3	118.9223	0.016	3	118.9223	0.016	3	115.1526	26.669	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]N[6]O)(O){1|C<3>,2|H<1>,6|C<4>}	109.4980	0.249	2	109.4980	0.062	2	109.4980	0.062	2	115.1526	26.669	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(O[5]C[5])(O)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H){1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	119.1707	0.711	3	119.1707	0.505	3	119.1707	0.505	3	119.1707	0.505	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,3x6])(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,3x6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.3560	0.000	1	107.3560	0.000	1	107.6905	0.224	2	107.6905	0.224	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.0250	0.000	1	108.0250	0.000	1	107.6905	0.224	2	107.6905	0.224	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,5,6,6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	110.0595	0.108	2	110.0595	0.012	2	110.0595	0.012	2	110.0595	0.012	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O){2|C<3>,2|H<1>,3|C<4>}	108.5700	0.000	1	108.5700	0.000	1	107.9880	0.677	2	107.9880	0.677	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(O){2|C<3>,2|C<4>,3|H<1>}	107.4060	0.000	1	107.4060	0.000	1	107.9880	0.677	2	107.9880	0.677	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	121.6640	0.177	2	121.6640	0.031	2	121.6640	0.031	2	121.6640	0.031	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	112.1340	58.234	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:O-1:	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5,5]C[3x5,6,6]C[5]H)(O)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2{1|O<1>,2|N<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5,5]C[3x5,6,6]C[5]H)(O){1|C<3>,2|N<3>,3|C<4>,4|H<1>}	106.7380	0.000	1	106.7380	0.000	1	106.7380	0.000	1	112.1340	58.234	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:2:	4:4:2:1:	4:3:1:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5])	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5]){4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,4|C<4>}	114.8245	0.127	2	114.8245	0.016	2	114.8245	0.016	2	114.8245	0.016	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:3:4:4:	4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	111.7510	3.841	2	109.7272	10.057	10	109.7272	10.057	10	109.7272	10.057	10	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	109.2212	3.059	8	109.7272	10.057	10	109.7272	10.057	10	109.7272	10.057	10	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|O<1>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	104.3800	0.000	1	104.3800	0.000	1	104.3800	0.000	1	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	105.5710	0.000	1	105.5710	0.000	1	104.5159	0.620	7	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	103.8560	0.000	1	103.8560	0.000	1	104.5159	0.620	7	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	103.8070	0.000	1	104.4368	0.536	5	104.5159	0.620	7	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	104.5942	0.741	4	104.4368	0.536	5	104.5159	0.620	7	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	105.3490	0.000	1	105.3490	0.000	1	105.1830	0.938	5	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	104.3880	0.426	2	104.3880	0.181	2	105.1830	0.938	5	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	106.6900	0.000	1	105.8950	1.264	2	105.1830	0.938	5	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|O<1>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	105.1000	0.000	1	105.8950	1.264	2	105.1830	0.938	5	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	104.5880	0.000	1	104.5880	0.000	1	104.5880	0.000	1	104.7496	0.689	14	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:O-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5]C[5,5]C[5]H)(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|N<2>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	106.7596	16.787	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	106.7596	16.787	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	104.7165	0.067	2	104.7165	0.005	2	104.7165	0.005	2	106.7596	16.787	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	106.7596	16.787	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3){1|C<4>,2|O<2>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	108.4650	0.253	2	108.4650	0.064	2	108.4650	0.064	2	107.7833	1.426	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O)	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	106.4200	0.000	1	106.4200	0.000	1	106.4200	0.000	1	107.7833	1.426	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	101.7170	0.000	1	101.7170	0.000	1	102.6265	0.665	4	103.1490	1.864	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	102.9297	0.668	3	102.9297	0.446	3	102.6265	0.665	4	103.1490	1.864	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){3|H<1>,4|C<4>}	105.2390	0.000	1	105.2390	0.000	1	105.2390	0.000	1	103.1490	1.864	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	109.8330	0.000	1	109.8330	0.000	1	109.8810	0.019	3	109.8810	0.019	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	110.0370	0.000	1	110.0370	0.000	1	109.8810	0.019	3	109.8810	0.019	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	109.7730	0.000	1	109.7730	0.000	1	109.8810	0.019	3	109.8810	0.019	3	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2{1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|O<2>,3|C<4>,6|H<1>}	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O){1|N<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(O){1|O<2>,4|H<1>,5|C<4>}	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	111.3813	0.572	3	111.3813	0.327	3	111.3813	0.327	3	110.8865	1.198	4	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6,6]C[5,6]2C[6,6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	C[5](C[5,6,6]C[5,6]2C[6,6])(N[5]C[5]H)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	110.8865	1.198	4	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:3:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(O){1|N<3>,3|C<4>,6|H<1>}	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O){1|C<3>,4|H<1>,5|C<4>}	109.7360	0.000	1	109.7360	0.000	1	109.6230	0.026	2	111.1386	7.075	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.5100	0.000	1	109.5100	0.000	1	109.6230	0.026	2	111.1386	7.075	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	115.6800	0.000	1	112.5425	19.688	2	112.1490	10.308	3	111.1386	7.075	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){4|C<4>,6|H<1>}	109.4050	0.000	1	112.5425	19.688	2	112.1490	10.308	3	111.1386	7.075	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.3620	0.000	1	111.3620	0.000	1	112.1490	10.308	3	111.1386	7.075	5	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[5]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	111.6860	4.738	2	111.6860	22.445	2	111.6860	22.445	2	107.3286	13.824	7	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){4|C<4>,6|H<1>}	105.4000	0.966	2	105.4000	0.933	2	105.5856	1.833	5	107.3286	13.824	7	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	103.9100	0.000	1	104.8370	1.719	2	105.5856	1.833	5	107.3286	13.824	7	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	105.7640	0.000	1	104.8370	1.719	2	105.5856	1.833	5	107.3286	13.824	7	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	107.4540	0.000	1	107.4540	0.000	1	105.5856	1.833	5	107.3286	13.824	7	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:2:	4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O){1|O<2>,3|H<1>,6|C<4>}	104.4520	0.414	2	104.4520	0.172	2	104.4520	0.172	2	104.4520	0.172	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5,6]OO)(O){1|O<2>,3|H<1>,6|C<4>}	114.6300	0.433	2	114.6300	0.187	2	114.6300	0.187	2	114.6300	0.187	2	110.2290	25.298	114	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:2:4:4:	4:4:4:1:	4:3:3:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	115.8420	0.000	1	115.8420	0.000	1	115.8420	0.000	1	115.8420	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:3:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	112.6905	3.914	2	112.6905	15.318	2	112.6905	15.318	2	112.6905	15.318	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	113.5050	0.000	1	111.7675	4.143	4	111.7675	4.143	4	111.7675	4.143	4	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	111.1883	2.050	3	111.7675	4.143	4	111.7675	4.143	4	111.7675	4.143	4	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	110.0140	0.000	1	110.0140	0.000	1	110.4230	0.335	2	110.4230	0.335	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	110.8320	0.000	1	110.8320	0.000	1	110.4230	0.335	2	110.4230	0.335	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:1:	4:4:2:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:3:2:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O[6]-2:	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	113.0760	0.000	1	112.8535	0.099	2	112.8535	0.099	2	112.8535	0.099	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,7|H<1>}	112.6310	0.000	1	112.8535	0.099	2	112.8535	0.099	2	112.8535	0.099	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H){2|C<3>,3|C<4>,8|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H){3|C<4>,3|O<2>,4|H<1>}	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]H)(O){1|C<3>,4|C<4>,4|H<1>}	107.3230	0.000	1	107.3230	0.000	1	107.3230	0.000	1	119.7426	21.867	9	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(O)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.2950	0.449	8	121.2950	0.202	8	121.2950	0.202	8	119.7426	21.867	9	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]O)(C[5,6,6]C[5,5,6,6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]O)(C[5,6,6]C[5,5,6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:2:	4:4:2:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:2:	4:4:3:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	119.5500	0.000	1	119.5500	0.000	1	119.5500	0.000	1	119.5500	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:2:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){1|O<2>,2|C<4>,6|H<1>}	114.5150	1.294	2	114.5150	1.674	2	114.5150	1.674	2	114.5150	1.674	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:4:1:	4:2:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:4:4:	4:4:1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,4|C<4>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:2:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	113.8920	0.000	1	113.8920	0.000	1	113.8920	0.000	1	111.6718	21.157	5	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	108.0430	0.000	1	108.0430	0.000	1	113.3750	56.860	2	111.6718	21.157	5	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	118.7070	0.000	1	118.7070	0.000	1	113.3750	56.860	2	111.6718	21.157	5	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	111.6718	21.157	5	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	111.6718	21.157	5	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,2|H<1>,3|C<4>}	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	112.2267	24.861	3	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	112.2267	24.861	3	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){2|C<3>,2|C<4>,4|H<1>}	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	112.2267	24.861	3	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP){2|C<4>,4|H<1>,5|C<3>}	110.1345	1.409	2	110.1345	1.986	2	110.1345	1.986	2	110.1345	1.986	2	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	113.6140	18.834	49	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	3:3:3:4:	4:4:1:1:	4:3:3:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,5|H<1>}	116.5820	0.676	2	116.5820	0.457	2	116.5820	0.457	2	116.5820	0.457	2	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:3:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(CCO)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(CCO){1|O<2>,4|C<4>,4|H<1>}	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:3:	4:2:1:1:	4:3:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:3:	4:4:1:1:	4:3:4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:3:	4:4:4:1:	4:3:1:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	115.8100	0.641	2	115.8100	0.410	2	115.8100	0.410	2	115.8100	0.410	2	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:3:4:	4:4:1:1:	4:3:3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	112.9600	0.000	1	112.9600	0.000	1	112.9600	0.000	1	112.9600	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	115.3270	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(O){1|C<3>,4|C<4>,4|H<1>}	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	110.0383	20.977	3	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,5|H<1>}	107.8130	3.499	2	107.8130	12.241	2	107.8130	12.241	2	110.0383	20.977	3	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	114.6140	0.000	1	114.6140	0.000	1	114.6140	0.000	1	114.3785	0.111	2	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.3785	0.111	2	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	108.8090	6.989	2	108.8090	48.847	2	108.8090	48.847	2	108.8090	48.847	2	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]N[6])(C[5]C[6a]N[5])(O)	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]N[6])(C[5]C[6a]N[5])(O){2|H<1>,3|C<3>,3|C<4>}	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O){2|C<3>,3|C<4>,4|H<1>}	116.2040	0.000	1	116.2040	0.000	1	116.2040	0.000	1	116.2040	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(O){4|C<4>,6|H<1>}	112.6585	1.415	4	112.6585	2.002	4	112.6585	2.002	4	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O){1|C<3>,4|H<1>,5|C<4>}	114.4600	0.000	1	114.4600	0.000	1	114.3555	0.022	2	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	114.2510	0.000	1	114.2510	0.000	1	114.3555	0.022	2	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){1|C<3>,4|C<4>,5|H<1>}	106.7730	0.403	2	106.9724	0.707	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){1|C<3>,4|C<4>,5|H<1>}	105.8490	0.000	1	106.9724	0.707	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){5|C<4>,5|H<1>}	106.6700	0.525	2	106.9724	0.707	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){5|C<4>,5|H<1>}	108.1280	0.000	1	106.9724	0.707	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){5|C<4>,5|H<1>}	107.9440	0.000	1	106.9724	0.707	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){1|C<3>,4|C<4>,5|H<1>}	114.8195	0.631	2	114.4667	1.007	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){1|C<3>,4|C<4>,5|H<1>}	114.4810	0.000	1	114.4667	1.007	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){5|C<4>,5|H<1>}	114.3027	1.622	3	114.4667	1.007	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6,6])(O){5|C<4>,5|H<1>}	114.2390	0.000	1	114.4667	1.007	7	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O){4|C<4>,6|H<1>}	113.0600	0.215	2	113.0600	0.046	2	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O){4|C<4>,6|H<1>}	107.0345	0.878	2	107.0345	0.770	2	110.5702	14.435	18	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	109.3600	0.000	1	106.4457	9.533	3	108.6502	25.796	4	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	106.7670	0.000	1	106.4457	9.533	3	108.6502	25.796	4	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){4|C<4>,6|H<1>}	103.2100	0.000	1	106.4457	9.533	3	108.6502	25.796	4	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|O<2>,3|C<4>,6|H<1>}	115.2640	0.000	1	115.2640	0.000	1	108.6502	25.796	4	110.8646	14.342	28	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H){2|O<2>,4|C<4>,4|H<1>}	115.3555	0.443	2	115.3555	0.197	2	115.3555	0.197	2	113.7805	3.404	4	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){4|C<4>,6|H<1>}	112.2055	0.305	2	112.2055	0.093	2	112.2055	0.093	2	113.7805	3.404	4	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(O){1|N<3>,3|C<4>,6|H<1>}	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	110.9570	0.000	1	111.4270	0.635	3	111.4270	0.635	3	111.4270	0.635	3	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	111.6620	0.969	2	111.4270	0.635	3	111.4270	0.635	3	111.4270	0.635	3	111.5686	15.101	56	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[3x6]	C[5]	4:3:3:4:	4:4:4:3:	4:3:1:	C[3x6]-4:C[5]-3:N[5]-3:C[6]-4:	C[4x6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO)	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<3>,3|C<4>,4|H<1>}	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	111.8617	15.169	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[3x6]	C[5]	4:3:4:3:	4:3:4:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	111.8617	15.169	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[3x6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3x6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[3x6]C[5,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	111.8617	15.169	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,5]	3:4:4:4:	4:4:4:4:	4:4:3:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	114.4605	0.060	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	114.4605	0.060	2	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:3:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:S[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	104.4914	0.883	5	104.4914	0.779	5	104.3213	0.797	6	104.3213	0.797	6	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:3:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:S[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	103.4710	0.000	1	103.4710	0.000	1	104.3213	0.797	6	104.3213	0.797	6	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:3:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:S[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	107.9620	0.040	2	107.9620	0.002	2	107.9620	0.002	2	107.9620	0.002	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:3:3:	4:3:4:1:	4:3:1:	C[5a,6]-3:C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	107.8990	0.281	2	107.8990	0.079	2	107.8990	0.079	2	107.8990	0.079	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:4:2:1:	4:2:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.1870	1.300	2	109.1870	1.689	2	109.5447	1.228	3	109.5447	1.228	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.2600	0.000	1	110.2600	0.000	1	109.5447	1.228	3	109.5447	1.228	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:4:3:2:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O){2|C<4>,4|C<3>,9|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3{1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	107.1140	0.000	1	107.1140	0.000	1	107.1140	0.000	1	107.1140	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:2:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	110.0930	0.133	2	110.0930	0.018	2	110.0930	0.018	2	110.0930	0.018	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:2:3:2:	4:4:4:4:	4:3:1:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H){1|H<1>,4|C<4>}	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:2:3:3:	4:3:4:1:	4:3:1:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H){3|C<3>,3|H<1>,4|C<4>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:2:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	108.2185	0.155	2	108.2185	0.024	2	108.2185	0.024	2	108.2185	0.024	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	108.9090	1.096	2	108.9090	1.201	2	108.9090	1.201	2	108.9090	1.201	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:1:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:2:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:3:	4:3:4:4:	4:4:1:	C[6,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O){2|C<3>,4|C<4>}	106.5660	0.000	1	106.5660	0.000	1	106.5660	0.000	1	106.5660	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:3:	4:4:2:2:	4:2:1:	C[6,6]-4:N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6]O[6]2)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6,6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(O[6]C[6])2	C[5](C[5,6]C[6,6]N[5,6]C[6a])(O[5]C[5,6])(O)	C[5,6](C[6,6]C[6]O[6]2)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]N[5,6]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:1:	C[6,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:3:	4:4:2:1:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O)	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O){1|N<4>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.9810	0.317	2	112.9810	0.100	2	112.9810	0.100	2	112.9810	0.100	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	111.9433	2.465	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	111.9433	2.465	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.5100	2.537	2	111.5100	6.437	2	111.5100	6.437	2	111.9433	2.465	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:2:2:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){2|C<3>,2|O<2>,3|H<1>}	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.7260	1.295	2	112.7260	1.678	2	112.7260	1.678	2	112.7260	1.678	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	112.3695	1.044	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	112.3695	1.044	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.5210	0.000	1	112.5210	0.000	1	111.7103	1.207	3	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.1500	0.000	1	111.3050	1.428	2	111.7103	1.207	3	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.4600	0.000	1	111.3050	1.428	2	111.7103	1.207	3	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	108.6845	0.141	2	108.6845	0.020	2	110.1080	6.089	3	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.9550	0.000	1	112.9550	0.000	1	110.1080	6.089	3	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.1460	0.000	1	111.1460	0.000	1	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.2225	0.445	2	112.9377	0.231	4	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.6530	0.414	2	112.9377	0.231	4	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.3450	0.000	1	113.6990	3.667	2	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	115.0530	0.000	1	113.6990	3.667	2	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.9230	0.000	1	112.7250	9.662	2	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.5270	0.000	1	112.7250	9.662	2	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.2860	0.000	1	112.2860	0.000	1	112.8031	2.081	10	112.0929	3.375	16	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:3:4:2:	4:3:1:	C[5,5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]H)(H)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	112.4450	1.104	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4535	1.486	2	112.4535	2.207	2	112.4535	2.207	2	112.4450	1.104	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.9330	0.000	1	114.9330	0.000	1	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.1880	0.000	1	112.8373	0.092	3	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.6620	0.016	2	112.8373	0.092	3	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.2000	0.000	1	111.2000	0.000	1	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.5785	0.100	2	113.0785	1.066	11	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.5010	0.000	1	113.0785	1.066	11	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.8895	0.620	6	113.0785	1.066	11	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.7970	0.000	1	113.0785	1.066	11	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.0710	0.000	1	113.0785	1.066	11	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.4650	0.000	1	113.4650	0.000	1	113.0572	1.133	17	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.5630	0.000	1	117.5630	0.000	1	117.5630	0.000	1	113.3076	2.195	18	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){2|C<3>,2|H<1>,3|C<4>}	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:3:4:	4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|H<1>,2|C<3>,4|C<4>}	119.5680	0.000	1	119.5680	0.000	1	119.5680	0.000	1	119.5680	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5,6])(O)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.8505	0.700	2	111.8505	0.700	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	112.4420	0.000	1	112.4420	0.000	1	111.8505	0.700	2	111.8505	0.700	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	112.3390	5.553	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3390	5.553	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,4|C<4>}	114.7010	0.000	1	114.7010	0.000	1	114.7010	0.000	1	112.3390	5.553	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	118.9100	0.000	1	118.9100	0.000	1	118.4130	0.494	2	120.0330	4.843	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	117.9160	0.000	1	117.9160	0.000	1	118.4130	0.494	2	120.0330	4.843	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	122.9830	0.000	1	122.9830	0.000	1	121.6530	3.538	2	120.0330	4.843	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	120.3230	0.000	1	120.3230	0.000	1	121.6530	3.538	2	120.0330	4.843	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:2:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){1|O<2>,2|H<1>,4|C<4>}	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){2|H<1>,5|C<4>}	116.3660	2.022	2	115.1274	5.893	5	115.1274	5.893	5	115.1274	5.893	5	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){2|H<1>,5|C<4>}	111.2120	0.000	1	115.1274	5.893	5	115.1274	5.893	5	115.1274	5.893	5	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){2|H<1>,5|C<4>}	115.8465	0.224	2	115.1274	5.893	5	115.1274	5.893	5	115.1274	5.893	5	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(CCC)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(CCC){2|H<1>,5|C<4>}	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<1>,1|O<2>,8|C<4>}	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	114.1103	51.884	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,5|C<4>}	109.7690	0.000	1	109.9530	0.068	2	109.9530	0.068	2	114.1103	51.884	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,5|C<4>}	110.1370	0.000	1	109.9530	0.068	2	109.9530	0.068	2	114.1103	51.884	3	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:2:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:2:	4:4:4:1:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(N[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(N[5]C[5])(O){1|C<2>,1|H<1>,1|N<3>,3|C<4>}	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:2:	4:4:4:1:	4:3:4:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:2:	4:4:4:4:	4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5,6])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5,6])(O){1|O<2>,2|H<1>,4|C<4>}	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.6920	0.000	1	110.6920	0.000	1	112.6437	6.326	3	113.2650	5.761	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	115.4820	0.000	1	115.4820	0.000	1	112.6437	6.326	3	113.2650	5.761	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.7570	0.000	1	111.7570	0.000	1	112.6437	6.326	3	113.2650	5.761	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|O<1>,1|O<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	115.1290	0.000	1	115.1290	0.000	1	115.1290	0.000	1	113.2650	5.761	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	112.7820	0.000	1	112.7820	0.000	1	114.0563	2.664	3	114.7195	3.535	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	115.8960	0.000	1	115.8960	0.000	1	114.0563	2.664	3	114.7195	3.535	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	113.4910	0.000	1	113.4910	0.000	1	114.0563	2.664	3	114.7195	3.535	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	3:4:4:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|O<1>,1|O<3>,1|S<2>,2|C<4>,5|H<1>}	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	114.7195	3.535	4	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:3:3:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]C[6a])(C[5]C[5,6]C[6a]O)(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C[6a])(C[5]C[5,6]C[6a]O)(O){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	101.0370	0.945	2	101.0370	0.892	2	101.0370	0.892	2	101.0370	0.892	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,3|H<1>}	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H){1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:2:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:2:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O){2|H<1>,2|O<2>,4|C<4>}	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:2:3:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(CCH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(CCH){2|C<3>,2|C<4>,3|H<1>}	110.4750	0.454	2	110.4750	0.206	2	110.4750	0.206	2	110.4750	0.206	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	108.6950	0.000	1	108.4315	0.139	2	108.4315	0.139	2	107.8133	1.671	7	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	108.1680	0.000	1	108.4315	0.139	2	108.4315	0.139	2	107.8133	1.671	7	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3x5]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	108.0747	0.909	3	107.3528	2.636	4	107.3528	2.636	4	107.8133	1.671	7	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3x5]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	105.1870	0.000	1	107.3528	2.636	4	107.3528	2.636	4	107.8133	1.671	7	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	107.8133	1.671	7	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:2:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N-2:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3)	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]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3){1|O<2>,5|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]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO){2|H<1>,6|C<4>}	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:4:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:Br-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br){3|H<1>,4|C<4>}	119.9415	0.247	2	119.9415	0.061	2	119.9415	0.061	2	119.9415	0.061	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	117.3810	0.000	2	117.3810	0.000	2	117.2270	0.558	6	117.2270	0.558	6	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O){2|C<3>,3|H<1>,4|C<4>}	116.4490	0.748	2	116.4490	0.560	2	117.2270	0.558	6	117.2270	0.558	6	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	118.1610	0.000	1	117.8510	0.192	2	117.2270	0.558	6	117.2270	0.558	6	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:4:	4:4:4:4:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	117.5410	0.000	1	117.8510	0.192	2	117.2270	0.558	6	117.2270	0.558	6	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,5|H<1>}	109.3030	0.000	1	109.3030	0.000	1	110.5670	3.195	2	110.5670	3.195	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	111.8310	0.000	1	111.8310	0.000	1	110.5670	3.195	2	110.5670	3.195	2	111.9983	16.432	141	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	111.4787	0.555	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	111.2860	0.942	2	111.2860	0.887	2	111.2860	0.887	2	111.2860	0.887	2	111.4787	0.555	3	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5]	3:3:4:4:	4:4:1:1:	3:4:4:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	112.0619	11.372	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:1:	4:3:3:1:	4:3:4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	113.1655	0.256	4	113.1655	0.065	4	113.2068	0.058	5	113.2068	0.058	5	112.0619	11.372	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:1:	4:3:3:1:	4:3:4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	113.3720	0.000	1	113.3720	0.000	1	113.2068	0.058	5	113.2068	0.058	5	112.0619	11.372	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	114.3768	2.601	6	114.3768	6.767	6	114.3768	6.767	6	114.3768	6.767	6	112.0619	11.372	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	105.4570	0.000	1	105.4570	0.000	1	105.4570	0.000	1	105.4570	0.000	1	112.0619	11.372	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:4:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	109.5453	1.642	3	109.5453	2.696	3	109.5453	2.696	3	109.5453	2.696	3	112.0619	11.372	16	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:2:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:N[6]-2:	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6])	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6]){4|C<4>,8|H<1>}	115.8640	0.000	1	115.8640	0.000	1	115.8640	0.000	1	115.8640	0.000	1	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl){10|H<1>,1|Cl<1>,1|C<3>,3|C<4>}	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.3400	0.036	3	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C){3|C<3>,3|C<4>,6|H<1>}	112.3990	0.226	2	112.3990	0.051	2	112.3990	0.051	2	112.3400	0.036	3	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	118.3420	0.843	2	118.3420	0.710	2	118.3420	0.710	2	118.3420	0.710	2	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	111.6795	0.011	2	111.6795	0.000	2	111.6795	0.000	2	111.6795	0.000	2	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	114.3472	8.672	13	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:3:4:1:	4:3:2:1:	4:4:3:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C-3:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:3:4:3:	4:4:1:1:	4:3:4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	109.6785	0.127	2	109.6785	0.016	2	109.6785	0.016	2	109.6785	0.016	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:3:4:4:	4:4:2:1:	4:4:1:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	3:4:4:1:	3:4:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br){1|C<3>,1|C<4>,3|H<1>}	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	111.5145	1.217	4	111.5145	1.480	4	111.0215	1.281	10	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	110.2635	0.350	2	110.2635	0.123	2	111.0215	1.281	10	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	112.1420	0.000	1	111.0873	2.201	3	111.0215	1.281	10	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,3|H<1>}	109.3910	0.000	1	111.0873	2.201	3	111.0215	1.281	10	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>}	111.7290	0.000	1	111.0873	2.201	3	111.0215	1.281	10	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	110.3680	0.000	1	110.3680	0.000	1	111.0215	1.281	10	110.9500	1.209	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:1:1:	4:3:3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:2:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|O<2>,2|C<3>,2|H<1>}	112.8800	0.000	1	112.8800	0.000	1	112.9660	0.015	2	112.9660	0.015	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:2:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.0520	0.000	1	113.0520	0.000	1	112.9660	0.015	2	112.9660	0.015	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:4:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:3:4:1:	4:3:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:4:1:1:	4:3:3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N[5]-3:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2){1|O<2>,4|C<4>,6|H<1>}	111.3045	0.179	2	111.3045	0.032	2	111.3045	0.032	2	111.3045	0.032	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:4:2:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	113.0690	0.000	1	113.0690	0.000	1	112.4915	0.667	2	112.4915	0.667	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:1:	4:4:2:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	111.9140	0.000	1	111.9140	0.000	1	112.4915	0.667	2	112.4915	0.667	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:2:	4:3:1:1:	4:4:3:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	112.9735	0.194	2	112.9735	0.038	2	112.9735	0.038	2	112.9735	0.038	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:2:	4:4:4:1:	4:3:1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H)	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O){2|C<3>,2|H<1>,3|C<4>}	113.2530	2.261	2	113.2530	5.114	2	113.2530	5.114	2	113.2530	5.114	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:4:	4:3:1:1:	4:2:1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O)	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH){1|O<1>,4|O<2>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2{1|Ga<6>,1|O<1>,1|O<2>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O){1|C<3>,2|H<1>,4|O<2>}	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:4:	4:3:1:1:	4:3:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	2:4:3:4:	4:4:1:1:	4:4:3:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|C<4>,2|H<1>,4|C<3>}	110.8685	0.655	2	110.8685	0.430	2	110.8685	0.430	2	110.8685	0.430	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:2:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,3|C<3>}	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:2:4:3:	4:4:4:1:	3:4:1:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	113.8000	0.640	19	113.8000	0.410	19	113.8000	0.410	19	113.8000	0.410	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:2:4:4:	4:3:2:1:	3:4:1:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:2:4:4:	4:3:4:1:	3:4:1:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:2:1:1:	4:3:1:	C[6,6a]-3:C[5]-3:N[5]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH)	C[6](C[5,6]C[6,6a]C[5]N[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]N[5])(O[6]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	108.2695	0.405	2	108.2695	0.164	2	108.2695	0.164	2	108.2695	0.164	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:4:3:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	115.5020	0.000	1	115.5020	0.000	1	115.5020	0.000	1	115.5020	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<2>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	108.9781	1.697	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	108.4890	0.000	1	109.2629	1.223	7	109.2629	1.223	7	108.9781	1.697	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	109.3918	1.153	6	109.2629	1.223	7	109.2629	1.223	7	108.9781	1.697	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F){2|C<3>,3|C<4>,4|H<1>}	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:2:	4:4:1:1:	3:4:1:	C[5]-3:N[5]-3:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O)	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O){2|C<3>,2|C<4>,4|H<1>}	110.7830	0.494	2	110.7830	0.244	2	110.7830	0.244	2	110.1775	1.205	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:2:	4:4:1:1:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	110.5480	0.000	1	110.5480	0.000	1	109.5720	1.905	2	110.1775	1.205	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:2:	4:4:1:1:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	108.5960	0.000	1	108.5960	0.000	1	109.5720	1.905	2	110.1775	1.205	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2)	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:2:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.0145	2.272	2	114.0145	5.162	2	114.0145	5.162	2	114.0145	5.162	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:2:	4:4:4:4:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	115.4447	0.122	3	115.4447	0.015	3	115.4447	0.015	3	115.4447	0.015	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:1:1:	4:3:4:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{3|C<4>,4|C<3>}	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:2:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	108.4380	0.000	2	108.4380	0.000	2	108.4380	0.000	2	108.4380	0.000	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	110.5030	1.708	2	110.5030	2.919	2	111.9260	7.534	3	111.9260	7.534	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	114.7720	0.000	1	114.7720	0.000	1	111.9260	7.534	3	111.9260	7.534	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.7385	0.221	2	110.7385	0.049	2	110.7385	0.049	2	108.9944	7.026	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	108.9944	7.026	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	106.9620	0.000	1	106.9620	0.000	1	106.9620	0.000	1	108.9944	7.026	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	107.0592	2.595	4	107.0592	6.736	4	107.0592	6.736	4	108.9944	7.026	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.4560	1.952	2	111.4560	3.809	2	111.4560	3.809	2	108.9944	7.026	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:2:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a])(H){1|C<4>,2|H<1>,4|C<3>}	103.3505	0.190	2	103.3505	0.036	2	103.3505	0.036	2	103.3505	0.036	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2{1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.1865	1.570	4	111.1865	2.464	4	111.1865	2.464	4	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]CC)(H)2{3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	113.5720	0.000	1	113.5720	0.000	1	112.7025	1.512	2	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	111.8330	0.000	1	111.8330	0.000	1	112.7025	1.512	2	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,4|C<3>}	108.8595	2.146	2	108.8595	4.606	2	108.8595	4.606	2	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	108.7950	0.000	1	108.7950	0.000	1	105.6820	19.382	2	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	102.5690	0.000	1	102.5690	0.000	1	105.6820	19.382	2	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,2|H<1>,5|C<3>}	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){4|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,4|C<3>}	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	109.9373	9.248	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:2:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	113.0565	6.298	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:2:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-2:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	113.0565	6.298	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,6|C<3>}	107.7630	2.517	2	107.7630	6.337	2	107.7630	6.337	2	112.3427	30.080	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]C)(COO)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]C)(COO){2|C<4>,2|H<1>,3|C<3>}	116.9820	0.000	1	116.9820	0.000	1	116.9225	0.007	2	112.3427	30.080	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]H)(CCO)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]H)(CCO){2|C<4>,2|H<1>,3|C<3>}	116.8630	0.000	1	116.8630	0.000	1	116.9225	0.007	2	112.3427	30.080	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:2:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:2:1:	4:3:2:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|C<2>,4|C<3>}	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	106.5850	0.000	1	106.5850	0.000	1	110.1775	25.812	2	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){3|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	113.7700	0.000	1	113.7700	0.000	1	110.1775	25.812	2	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6,6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6,6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	110.3595	2.437	2	110.3595	5.941	2	110.3595	5.941	2	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	105.7115	0.375	2	106.4320	1.528	4	106.4320	1.528	4	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	107.1525	1.538	2	106.4320	1.528	4	106.4320	1.528	4	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	108.2384	7.692	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:2:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	111.2858	3.029	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:2:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	111.7040	1.695	4	111.7040	2.872	4	111.7040	2.872	4	111.2858	3.029	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	111.9530	0.000	1	109.9913	2.928	3	109.9913	2.928	3	109.9913	2.928	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	109.0105	0.289	2	109.9913	2.928	3	109.9913	2.928	3	109.9913	2.928	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	111.6310	17.398	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.6310	17.398	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O){2|C<3>,3|C<4>,6|H<1>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	111.6310	17.398	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2{1|O<1>,2|C<3>,5|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	113.4650	8.828	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O){2|C<3>,3|C<4>,6|H<1>}	111.3640	0.000	1	111.3640	0.000	1	111.3640	0.000	1	113.4650	8.828	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:4:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:2:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O){2|C<3>,2|N<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	111.7005	0.446	2	111.7005	0.199	2	111.7005	0.199	2	111.7005	0.199	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:2:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:2:4:	4:2:1:1:	3:4:3:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	3:4:1:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:2:1:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	108.3810	0.454	2	108.3810	0.206	2	108.3810	0.206	2	108.3810	0.206	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:3:4:4:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:4:1:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){3|C<4>,3|H<1>}	110.4987	2.085	3	110.4987	4.346	3	110.4987	4.346	3	110.4987	4.346	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2{6|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	124.2180	0.943	2	124.2180	0.890	2	124.2180	0.890	2	119.7233	61.051	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5,6,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO)	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO){2|C<4>,2|H<1>,4|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	119.7233	61.051	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:4:4:1:	4:4:3:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	112.3950	0.000	3	112.5350	0.037	5	112.5350	0.037	5	112.5350	0.037	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:1:	4:4:4:1:	4:4:3:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|Si<4>,1|H<1>,1|N<3>,3|C<4>}	112.7450	0.000	2	112.5350	0.037	5	112.5350	0.037	5	112.5350	0.037	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a])(O){2|H<1>,4|C<3>}	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-2:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6])	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|N<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	107.0345	0.606	2	107.0345	0.367	2	107.0345	0.367	2	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	111.2330	0.000	1	112.2540	2.085	2	111.9536	3.431	7	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	113.2750	0.000	1	112.2540	2.085	2	111.9536	3.431	7	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	109.7710	0.000	1	109.7710	0.000	1	111.9536	3.431	7	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	109.2560	0.000	1	112.0880	6.056	3	111.9536	3.431	7	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	113.5040	0.286	2	112.0880	6.056	3	111.9536	3.431	7	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	113.1320	0.000	1	113.1320	0.000	1	111.9536	3.431	7	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	111.4877	7.842	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	107.2350	0.000	1	107.2350	0.000	1	109.5075	10.329	2	111.4168	10.239	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	111.7800	0.000	1	111.7800	0.000	1	109.5075	10.329	2	111.4168	10.239	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	113.3260	2.410	2	113.3260	5.807	2	113.3260	5.807	2	111.4168	10.239	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:4:2:	4:3:1:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6a]-3:C[6]-4:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6]){1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	113.2920	0.014	2	113.2920	0.000	2	112.7356	1.093	5	112.7356	1.093	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	112.3647	1.293	3	112.3647	1.671	3	112.7356	1.093	5	112.7356	1.093	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:4:2:1:	4:2:1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.9645	0.170	2	112.9645	0.029	2	112.9645	0.029	2	112.9645	0.029	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.6665	6.867	2	110.6665	47.152	2	110.6665	47.152	2	110.6665	47.152	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	119.5580	0.000	1	119.5580	0.000	1	119.9565	0.318	2	111.6765	41.276	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	120.3550	0.000	1	120.3550	0.000	1	119.9565	0.318	2	111.6765	41.276	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a,6]N[5a])(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a,6]N[5a])(H)2{1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,2|H<1>,4|C<3>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	111.6765	41.276	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	111.6765	41.276	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2{1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	111.6765	41.276	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	111.6765	41.276	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:2:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	110.7640	1.797	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:2:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	110.7640	1.797	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	110.2087	2.647	6	110.2087	7.005	6	110.2087	7.005	6	110.2087	7.005	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:1:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO)	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	109.5585	3.996	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	111.5820	0.000	1	111.5820	0.000	1	109.6290	7.628	2	109.5585	3.996	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.6760	0.000	1	107.6760	0.000	1	109.6290	7.628	2	109.5585	3.996	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	109.5585	3.996	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	108.0040	0.000	1	108.4795	0.452	2	108.4795	0.452	2	108.4795	0.452	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	108.9550	0.000	1	108.4795	0.452	2	108.4795	0.452	2	108.4795	0.452	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:2:2:	C[6]-3:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:N-2:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a])	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.8795	0.366	2	109.8795	0.134	2	109.8795	0.134	2	110.6290	1.096	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:2:2:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:N-2:	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a])	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a]){2|C<4>,2|H<1>,3|C<3>}	111.3785	0.952	2	111.3785	0.907	2	111.3785	0.907	2	110.6290	1.096	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	104.1800	0.000	1	104.1800	0.000	1	104.1800	0.000	1	110.1341	12.501	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	110.1341	12.501	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.7500	0.000	1	111.7500	0.000	1	109.3540	11.482	2	110.1341	12.501	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	106.9580	0.000	1	106.9580	0.000	1	109.3540	11.482	2	110.1341	12.501	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	113.7735	0.170	2	113.7735	0.029	2	113.7735	0.029	2	110.1341	12.501	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.1341	12.501	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:1:	4:3:4:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	109.6615	0.463	2	109.6615	0.215	2	109.6615	0.215	2	109.6615	0.215	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:2:1:	4:2:4:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(SC[6a])(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.2900	0.013	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:2:1:	4:3:1:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2900	0.013	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.1377	0.247	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	107.1140	0.000	1	106.8835	0.106	2	106.8835	0.106	2	107.1377	0.247	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	106.6530	0.000	1	106.8835	0.106	2	106.8835	0.106	2	107.1377	0.247	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])2(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])2(COO)(H){1|O<2>,2|N<3>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.3702	0.613	4	109.3702	0.376	4	110.7092	4.615	9	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.0290	0.000	1	109.0290	0.000	1	110.7092	4.615	9	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	110.7930	1.479	2	110.7930	2.188	2	110.7092	4.615	9	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.1930	0.000	1	114.1930	0.000	1	110.7092	4.615	9	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.0940	0.000	1	114.0940	0.000	1	110.7092	4.615	9	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.6720	0.000	1	112.6720	0.000	1	112.6720	0.000	1	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	107.0790	0.000	1	107.0790	0.000	1	111.3572	9.301	5	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.3180	0.000	1	112.4267	4.775	4	111.3572	9.301	5	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	113.7700	0.000	1	112.4267	4.775	4	111.3572	9.301	5	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.8370	0.000	1	112.4267	4.775	4	111.3572	9.301	5	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.7820	0.000	1	112.4267	4.775	4	111.3572	9.301	5	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	110.6956	6.239	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,6|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	104.7900	0.000	1	104.7900	0.000	1	104.7900	0.000	1	105.3945	0.731	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<3>,3|H<1>}	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	105.3945	0.731	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:2:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	102.5720	0.000	1	102.5720	0.000	1	102.5720	0.000	1	102.5720	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>}	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,6|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	104.3710	0.000	1	104.8645	0.487	2	104.8645	0.487	2	105.8249	0.974	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	105.3580	0.000	1	104.8645	0.487	2	104.8645	0.487	2	105.8249	0.974	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	104.8150	0.000	1	104.8150	0.000	1	106.0650	0.854	8	105.8249	0.974	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	106.4508	0.927	5	106.2436	0.698	7	106.0650	0.854	8	105.8249	0.974	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	105.7255	0.054	2	106.2436	0.698	7	106.0650	0.854	8	105.8249	0.974	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C[5]-3:Si-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3)	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH){1|N<3>,2|C<4>,3|H<1>}	107.6790	1.829	6	107.6790	3.347	6	107.6790	3.347	6	107.6790	3.347	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|H<1>}	115.1112	0.530	4	115.1112	0.281	4	115.1112	0.281	4	115.1112	0.281	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:4:1:	4:3:1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	112.2715	1.232	2	112.2715	1.519	2	112.2715	1.519	2	112.2715	1.519	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	105.4320	0.000	1	105.4320	0.000	1	106.5210	2.372	2	106.3738	1.523	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,5|C<3>}	107.6100	0.000	1	107.6100	0.000	1	106.5210	2.372	2	106.3738	1.523	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	106.2070	1.902	2	106.2070	3.618	2	106.2070	3.618	2	106.3738	1.523	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S){1|C<4>,1|H<1>,8|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|S<1>,1|S<2>,2|N<3>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	106.3738	1.523	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.5135	0.501	4	111.5135	0.251	4	111.5135	0.251	4	111.5135	0.251	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:2:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:2:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	109.2550	0.000	1	109.2550	0.000	1	109.2437	2.543	7	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|C<2>,2|H<1>,4|C<3>}	111.5360	0.000	1	111.5360	0.000	1	109.2437	2.543	7	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	106.8460	0.000	1	106.8460	0.000	1	109.2437	2.543	7	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	107.6950	0.000	1	107.6950	0.000	1	109.2437	2.543	7	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	110.1900	0.010	2	109.7913	0.477	3	109.2437	2.543	7	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	108.9940	0.000	1	109.7913	0.477	3	109.2437	2.543	7	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|N<3>,2|C<3>,6|H<1>}	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	109.2621	2.244	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.0465	1.091	2	109.0465	1.190	2	108.6773	1.004	3	108.0144	2.650	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	107.9390	0.000	1	107.9390	0.000	1	108.6773	1.004	3	108.0144	2.650	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1	108.0144	2.650	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S){1|C<4>,1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H){1|S<1>,2|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.0144	2.650	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:2:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2{1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|N<3>,3|C<3>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	109.0587	2.318	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:2:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	109.0587	2.318	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2{1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|C<2>,2|H<1>,4|C<3>}	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	109.0587	2.318	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H){1|C<4>,3|H<1>,4|C<3>}	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	108.9750	3.115	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){3|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){1|C<4>,2|H<1>,5|C<3>}	108.3307	1.178	4	108.3307	1.387	4	108.3307	1.387	4	108.9750	3.115	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:B[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H)	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H){1|Li<3>,1|C<4>,2|H<1>,9|C<3>}	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H){1|H<1>,1|O<3>,6|C<3>}	112.5170	0.610	2	112.5170	0.372	2	112.5170	0.372	2	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	111.6730	0.272	2	111.6730	0.074	2	110.3077	5.629	3	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	107.5770	0.000	1	107.5770	0.000	1	110.3077	5.629	3	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	112.4470	0.000	1	112.4470	0.000	1	108.8375	26.057	2	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){3|H<1>,9|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	105.2280	0.000	1	105.2280	0.000	1	108.8375	26.057	2	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.1640	0.000	1	107.1640	0.000	1	107.2975	0.036	2	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	107.4310	0.000	1	107.4310	0.000	1	107.2975	0.036	2	109.9779	6.547	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	108.7880	0.000	2	109.8607	1.708	4	109.8607	1.708	4	109.8607	1.708	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:3:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	110.9335	0.722	2	109.8607	1.708	4	109.8607	1.708	4	109.8607	1.708	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H){2|C<4>,3|C<3>,3|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	110.4428	4.936	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){2|C<4>,2|H<1>,4|C<3>}	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.4428	4.936	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){3|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){1|C<4>,2|H<1>,5|C<3>}	110.7482	1.938	4	110.4475	7.524	6	110.4475	7.524	6	110.4428	4.936	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){5|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){2|C<4>,2|H<1>,4|C<3>}	109.8460	5.026	2	110.4475	7.524	6	110.4475	7.524	6	110.4428	4.936	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:2:1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	110.4428	4.936	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.2770	0.000	1	109.2770	0.000	1	110.8075	4.685	2	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.3380	0.000	1	112.3380	0.000	1	110.8075	4.685	2	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	111.9430	0.000	1	110.7700	2.752	2	110.2250	2.267	3	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.5970	0.000	1	110.7700	2.752	2	110.2250	2.267	3	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	109.1350	0.000	1	109.1350	0.000	1	110.2250	2.267	3	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.4720	0.000	1	112.4720	0.000	1	111.0468	16.193	4	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){3|H<1>,9|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	112.5110	0.000	1	110.5717	22.936	3	111.0468	16.193	4	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){5|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.6020	6.343	2	110.5717	22.936	3	111.0468	16.193	4	110.7197	7.372	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,5|H<1>}	113.1225	0.063	2	113.1225	0.004	2	113.1225	0.004	2	111.6255	3.226	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H){2|C<4>,3|C<3>,3|H<1>}	109.5330	0.000	1	109.5330	0.000	1	110.1285	0.709	2	111.6255	3.226	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H){1|C<4>,3|H<1>,4|C<3>}	110.7240	0.000	1	110.7240	0.000	1	110.1285	0.709	2	111.6255	3.226	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	110.7690	0.000	1	111.3980	0.791	2	111.3980	0.791	2	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	112.0270	0.000	1	111.3980	0.791	2	111.3980	0.791	2	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H){2|C<4>,4|C<3>,4|H<1>}	111.5420	0.100	2	111.5420	0.010	2	111.5420	0.010	2	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	112.1010	0.000	1	112.1010	0.000	1	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	107.8855	0.706	2	107.8855	0.499	2	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,4|H<1>}	110.2100	0.000	1	110.2100	0.000	1	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,4|H<1>}	110.7300	0.000	1	110.7300	0.000	1	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.7380	0.000	2	108.9402	0.937	4	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	108.1425	0.514	2	108.9402	0.937	4	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	109.5220	0.000	1	109.5220	0.000	1	109.4095	2.053	10	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,5|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:	N[5]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5,6]H)(O)	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O){3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5,6]H)(O){4|C<4>,5|H<1>}	109.7300	2.162	2	109.7300	4.676	2	109.7300	4.676	2	110.4002	3.738	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:2:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>,4|H<1>}	106.8340	0.000	1	106.8340	0.000	1	106.3752	0.202	4	107.5175	2.330	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	106.0680	0.000	1	106.2223	0.163	3	106.3752	0.202	4	107.5175	2.330	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	106.6810	0.000	1	106.2223	0.163	3	106.3752	0.202	4	107.5175	2.330	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	105.9180	0.000	1	106.2223	0.163	3	106.3752	0.202	4	107.5175	2.330	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	108.0053	0.254	3	108.0053	0.064	3	108.0053	0.064	3	107.5175	2.330	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(O){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	107.5175	2.330	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	107.1930	0.000	1	107.1930	0.000	1	107.2605	0.009	2	107.2605	0.009	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.3280	0.000	1	107.3280	0.000	1	107.2605	0.009	2	107.2605	0.009	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	106.8175	1.231	2	106.8175	1.516	2	108.0497	5.312	3	108.0497	5.312	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:2:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	110.5140	0.000	1	110.5140	0.000	1	108.0497	5.312	3	108.0497	5.312	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:2:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	108.2220	2.134	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){2|C<4>,2|H<1>,4|C<3>}	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	108.2220	2.134	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	107.8760	1.157	2	107.8760	1.338	2	109.2533	6.360	3	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.0080	0.000	1	112.0080	0.000	1	109.2533	6.360	3	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	106.8170	0.209	2	106.8170	0.044	2	106.8170	0.044	2	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.0920	0.000	1	112.0920	0.000	1	112.2375	0.042	2	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O){2|C<4>,4|C<3>,9|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	112.3830	0.000	1	112.3830	0.000	1	112.2375	0.042	2	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])2(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])2(COO)(H){1|O<2>,2|N<3>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	106.8785	0.696	4	106.8785	0.485	4	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	109.1540	0.000	1	109.1540	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	110.1880	0.000	1	110.1880	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.7163	0.856	3	109.7163	0.733	3	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	112.9120	0.000	1	112.9120	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	109.8320	0.000	1	110.2480	0.346	2	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	110.6640	0.000	1	110.2480	0.346	2	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.3980	0.000	1	109.3980	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.1130	0.000	1	109.1130	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.8270	0.000	1	110.8270	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	108.8880	0.000	1	108.8880	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	107.0510	0.000	1	107.0510	0.000	1	109.0994	3.113	17	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	110.7820	0.000	1	110.7820	0.000	1	110.3672	2.947	5	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,5|C<3>}	110.7120	0.000	1	110.7120	0.000	1	110.3672	2.947	5	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	108.7520	0.000	1	108.7520	0.000	1	110.3672	2.947	5	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	108.7310	0.000	1	108.7310	0.000	1	110.3672	2.947	5	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	112.8590	0.000	1	112.8590	0.000	1	110.3672	2.947	5	109.5641	4.676	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:2:1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	110.7937	1.014	3	110.6885	0.729	4	110.6885	0.729	4	110.6120	0.576	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:2:1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	110.3730	0.000	1	110.6885	0.729	4	110.6885	0.729	4	110.6120	0.576	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:2:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.6120	0.576	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.5752	0.209	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	108.9190	0.000	1	108.9190	0.000	1	109.5630	0.312	3	109.5752	0.209	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	109.8520	0.000	1	109.8520	0.000	1	109.5630	0.312	3	109.5752	0.209	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	109.9180	0.000	1	109.9180	0.000	1	109.5630	0.312	3	109.5752	0.209	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	111.5640	2.759	2	111.5640	7.613	2	111.5640	7.613	2	111.3845	3.883	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	111.2050	1.977	2	111.2050	3.909	2	111.2050	3.909	2	111.3845	3.883	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:B[6]-3:	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2)	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2){4|C<3>,6|C<4>,6|H<1>}	111.2320	2.707	2	111.2320	7.327	2	111.2320	7.327	2	111.7378	4.794	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2)	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2){4|C<3>,5|C<4>,7|H<1>}	113.0330	0.000	1	113.0330	0.000	1	113.0330	0.000	1	111.7378	4.794	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:Si[6]-3:N[5]-3:	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(Si[6]C[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(Si[6]C[5,6]C[6])(N[5]C[6a]C[5]){1|N<3>,3|C<3>,7|C<4>,7|H<1>}	111.5960	3.101	2	111.5960	9.618	2	111.5960	9.618	2	111.7378	4.794	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:2:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	Si[5,5]-4:C[5,6]-4:N-2:	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a])	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a]){3|C<3>,6|C<4>,7|H<1>}	108.7050	3.661	2	108.7050	13.406	2	108.7050	13.406	2	109.6315	6.233	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:2:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	Si[5]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](Si[5]C[5,6a]Si[5,5]H)(C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[5](Si[5]C[5,6a]Si[5,5]H)(C[5,6]C[5]C[6]2)(N[5]C[5]){3|C<3>,6|C<4>,6|H<1>}	110.5580	1.363	2	110.5580	1.859	2	110.5580	1.859	2	109.6315	6.233	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	6:4:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	B[5x3]-6:C[5,6]-4:N[5]-3:	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](B[5x3]C[3,3,5]5)(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,8|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	C[5](B[5x3]C[3,3,5]5)(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5]){2|C<3>,6|H<1>,9|C<4>}	110.7710	3.091	2	110.7710	9.557	2	110.7710	9.557	2	110.7710	9.557	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2)	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2){4|C<3>,5|C<4>,7|H<1>}	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:1:	4:3:3:1:	4:3:1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.8230	0.000	1	112.8230	0.000	1	112.3790	0.355	3	112.3790	0.355	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:1:	4:3:3:1:	4:3:1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	112.6120	0.000	1	112.1570	0.414	2	112.3790	0.355	3	112.3790	0.355	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:1:	4:3:3:1:	4:3:1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.7020	0.000	1	112.1570	0.414	2	112.3790	0.355	3	112.3790	0.355	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:1:	4:4:1:1:	4:3:1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,3|H<1>}	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:1:	4:4:1:1:	4:3:3:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO){1|O<2>,2|C<4>,2|H<1>}	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:2:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	114.7425	1.010	2	114.6930	0.518	3	114.6930	0.518	3	114.6930	0.518	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:2:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	114.5940	0.000	1	114.6930	0.518	3	114.6930	0.518	3	114.6930	0.518	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:3:	4:3:3:1:	4:3:4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:2:3:4:	4:3:3:1:	4:3:4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:2:	4:4:1:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	114.3645	0.992	2	114.3645	0.984	2	114.3645	0.984	2	114.3645	0.984	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:3:	4:3:1:1:	4:3:3:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6,6a]-3:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2{1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	109.6995	0.052	2	109.6995	0.003	2	109.6995	0.003	2	109.6995	0.003	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:3:4:1:	3:4:1:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O){2|C<4>,3|H<1>,4|C<3>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.2260	1.789	6	110.4161	2.466	8	110.4161	2.466	8	110.2142	2.525	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.5380	0.000	1	110.4161	2.466	8	110.4161	2.466	8	110.2142	2.525	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	111.4350	0.000	1	110.4161	2.466	8	110.4161	2.466	8	110.2142	2.525	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O){2|C<4>,3|H<1>,4|C<3>}	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	110.2142	2.525	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:4:1:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	108.2690	0.000	1	108.2690	0.000	1	109.5060	3.060	2	109.5060	3.060	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:4:1:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.7430	0.000	1	110.7430	0.000	1	109.5060	3.060	2	109.5060	3.060	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:4:2:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	111.6215	1.082	6	111.6215	1.170	6	111.6215	1.170	6	111.6215	1.170	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:1:	3:4:3:3:	4:3:1:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,4|C<3>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:3:1:	4:3:1:	C[6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){1|N<3>,2|H<1>,3|C<4>}	112.3987	2.251	3	112.3987	5.068	3	112.3987	5.068	3	112.3987	5.068	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:3:3:	4:3:1:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H){1|C<4>,3|C<3>}	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O){3|C<3>,4|H<1>}	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:2:	4:3:1:1:	4:4:3:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H)	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:2:	4:3:2:2:	4:3:4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	114.6450	0.000	1	114.6450	0.000	1	114.6450	0.000	1	114.6450	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[5]-3:N[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]HH)(C[5]C[5]O)(N[5]C[5]H)(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC)	C[5,6](C[6]C[6]HH)(C[5]C[5]O)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC){1|O<1>,2|C<4>,3|H<1>}	114.2320	0.000	1	114.2320	0.000	1	114.2320	0.000	1	114.2320	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H){2|H<1>,8|C<3>}	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,3|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.3025	1.398	2	108.3025	1.954	2	108.3782	1.613	4	108.3782	1.613	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.4540	1.691	2	108.4540	2.861	2	108.3782	1.613	4	108.3782	1.613	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	112.4945	0.067	2	112.4945	0.005	2	112.4945	0.005	2	112.4945	0.005	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	113.0345	1.034	2	113.0345	1.070	2	113.0345	1.070	2	113.0345	1.070	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,3|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	114.7330	4.931	2	114.7330	24.318	2	111.8932	29.650	6	111.8932	29.650	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.4732	5.766	4	110.4732	33.247	4	111.8932	29.650	6	111.8932	29.650	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	3:4:1:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH){1|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	109.2620	0.444	2	109.2620	0.197	2	109.2620	0.197	2	109.2620	0.197	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:1:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	110.8130	2.118	2	110.8130	4.488	2	110.8130	4.488	2	111.7090	6.403	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:1:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH){1|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	112.6050	3.393	2	112.6050	11.510	2	112.6050	11.510	2	111.7090	6.403	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.7320	1.973	2	111.7320	3.892	2	111.8835	4.759	6	111.8835	4.759	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	111.9592	2.571	4	111.9592	6.611	4	111.8835	4.759	6	111.8835	4.759	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:1:1:	4:3:1:	C[3x6]-4:C[5]-3:N[5]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<3>,3|C<4>,4|H<1>}	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:2:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	108.8942	1.747	4	108.8942	3.051	4	108.8942	3.051	4	108.8942	3.051	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|H<1>,5|C<3>}	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	112.3138	27.541	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.7015	8.875	2	113.7015	78.764	2	113.7015	78.764	2	112.3138	27.541	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.8825	3.372	2	109.8825	11.372	2	109.8825	11.372	2	112.3138	27.541	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	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>}	121.7000	0.000	1	121.7000	0.000	1	121.7000	0.000	1	121.7000	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:2:2:	4:3:2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	4:3:2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,3|C<3>,4|C<4>}	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	115.9100	0.000	1	115.9100	0.000	1	115.9100	0.000	1	112.4169	5.557	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	109.6600	0.000	1	109.6600	0.000	1	111.2506	2.219	5	112.4169	5.557	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	112.0157	1.430	3	112.0157	2.046	3	111.2506	2.219	5	112.4169	5.557	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|C<3>,4|H<1>}	110.5460	0.000	1	110.5460	0.000	1	111.2506	2.219	5	112.4169	5.557	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	112.4169	5.557	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,5|H<1>}	116.6930	0.000	1	116.6930	0.000	1	116.6930	0.000	1	116.0483	0.317	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,6|H<1>}	115.7260	0.102	2	115.7260	0.010	2	115.7260	0.010	2	116.0483	0.317	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-1:	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C)	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<1>,1|H<1>,2|O<2>,3|C<4>}	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>}	122.1000	0.000	1	122.1000	0.000	1	122.1000	0.000	1	113.8114	31.832	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	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>}	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	113.8114	31.832	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	105.7925	0.083	2	105.7925	0.007	2	112.0147	23.776	6	113.8114	31.832	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.1257	0.954	4	115.1257	0.909	4	112.0147	23.776	6	113.8114	31.832	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(O){1|O<2>,4|C<4>,5|H<1>}	120.6580	0.000	1	120.6580	0.000	1	114.4440	77.228	2	113.8114	31.832	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(O){1|O<2>,4|C<4>,5|H<1>}	108.2300	0.000	1	108.2300	0.000	1	114.4440	77.228	2	113.8114	31.832	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N-2:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH){1|O<1>,3|H<1>,4|C<4>}	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	116.6260	1.458	2	116.6260	2.126	2	116.6260	2.126	2	116.6260	2.126	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	118.8345	0.554	2	118.8345	0.307	2	118.8345	0.307	2	118.8345	0.307	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	119.8400	0.000	1	119.8400	0.000	1	119.8400	0.000	1	119.8400	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:4:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){2|H<1>,7|C<4>}	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:4:4:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O){1|C<3>,4|H<1>,7|C<4>}	122.1890	0.000	1	122.5070	0.056	4	122.5070	0.056	4	122.5070	0.056	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:4:4:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	122.6130	0.129	3	122.5070	0.056	4	122.5070	0.056	4	122.5070	0.056	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	3:4:2:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO){2|C<3>,2|C<4>,4|H<1>}	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]S)(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]S)(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	110.8627	5.016	3	110.8627	25.157	3	110.8627	25.157	3	110.8627	25.157	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]O)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]O)(O){1|O<2>,4|C<4>,5|H<1>}	111.0790	0.082	2	111.0790	0.007	2	111.0790	0.007	2	111.0790	0.007	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.1670	1.571	2	113.1670	2.469	2	113.1670	2.469	2	113.1670	2.469	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	111.6220	0.000	1	111.8525	0.106	2	111.8525	0.106	2	111.8525	0.106	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	112.0830	0.000	1	111.8525	0.106	2	111.8525	0.106	2	111.8525	0.106	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:1:1:	4:3:1:	P[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H)	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>,3|C<3>}	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	108.5500	19.651	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:1:	C[6,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.5500	19.651	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:1:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	104.0640	0.000	1	104.0640	0.000	1	104.0640	0.000	1	108.5500	19.651	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:3:1:	4:3:2:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:3:1:	4:4:1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	114.7540	0.000	1	114.7540	0.000	1	114.7540	0.000	1	114.7540	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:4:1:	4:3:2:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	117.4910	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:2:2:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:N-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(NC[6a])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(NC[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	108.4045	0.254	2	108.4045	0.064	2	108.4045	0.064	2	108.4045	0.064	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:1:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	108.8288	2.582	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	108.9637	1.635	3	108.9637	2.673	3	108.9637	2.673	3	108.8288	2.582	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	109.7880	0.522	2	109.7880	0.272	2	109.7880	0.272	2	108.8288	2.582	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:2:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]HH)(O){1|C<4>,3|C<3>,5|H<1>}	105.3660	0.000	1	105.3660	0.000	1	105.3660	0.000	1	105.3660	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	112.1540	0.000	1	112.2703	0.264	3	112.2703	0.264	3	111.2333	1.509	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	112.3285	0.712	2	112.2703	0.264	3	112.2703	0.264	3	111.2333	1.509	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	111.2333	1.509	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	109.9710	0.512	2	109.9710	0.262	2	109.9710	0.262	2	111.2333	1.509	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	N[5,5]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O){2|C<4>,3|C<3>,7|H<1>}	108.3140	0.757	2	108.3140	0.572	2	108.3140	0.572	2	108.3140	0.572	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.7910	1.181	2	116.7910	1.394	2	112.8267	47.845	3	112.4110	24.254	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	104.8980	0.000	1	104.8980	0.000	1	112.8267	47.845	3	112.4110	24.254	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O){2|C<4>,3|C<3>,7|H<1>}	111.7875	0.173	2	111.7875	0.030	2	111.7875	0.030	2	112.4110	24.254	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	120.0215	0.447	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	120.0215	0.447	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	117.7553	0.300	3	117.7553	0.090	3	117.7553	0.090	3	118.1653	0.732	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5a]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	118.1653	0.732	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<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>}	117.5525	0.112	2	117.3463	0.134	3	117.0307	0.212	6	115.9529	11.802	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<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>}	116.9340	0.000	1	117.3463	0.134	3	117.0307	0.212	6	115.9529	11.802	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<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>}	116.5405	0.108	2	116.5405	0.012	2	117.0307	0.212	6	115.9529	11.802	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	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>}	117.0640	0.000	1	117.0640	0.000	1	117.0307	0.212	6	115.9529	11.802	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(O){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	115.9529	11.802	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	107.5390	0.000	1	107.5390	0.000	1	107.5390	0.000	1	115.9529	11.802	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	104.0480	0.000	1	104.6837	0.457	3	104.6837	0.457	3	104.6837	0.457	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	105.0015	0.555	2	104.6837	0.457	3	104.6837	0.457	3	104.6837	0.457	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	120.3420	0.778	2	120.3420	0.605	2	116.1767	52.353	3	112.6998	35.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.8460	0.000	1	107.8460	0.000	1	116.1767	52.353	3	112.6998	35.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.7720	0.471	2	108.7720	0.222	2	109.2230	0.721	3	112.6998	35.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O){1|C<3>,1|C<4>,5|H<1>}	110.1250	0.000	1	110.1250	0.000	1	109.2230	0.721	3	112.6998	35.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|O<2>,4|H<1>}	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	118.1445	0.029	2	118.1445	0.001	2	118.1445	0.001	2	118.1445	0.001	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	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>}	120.8600	0.444	2	120.8600	0.197	2	120.8510	0.067	4	120.8510	0.067	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	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>}	120.7980	0.000	1	120.7980	0.000	1	120.8510	0.067	4	120.8510	0.067	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	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>}	120.8860	0.000	1	120.8860	0.000	1	120.8510	0.067	4	120.8510	0.067	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:2:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	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>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	113.3192	10.598	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	112.9400	0.000	1	112.9400	0.000	1	112.0083	5.586	3	113.3192	10.598	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|H<1>,2|O<2>,4|C<3>}	109.3210	0.000	1	109.3210	0.000	1	112.0083	5.586	3	113.3192	10.598	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|H<1>,2|O<2>,4|C<3>}	113.7640	0.000	1	113.7640	0.000	1	112.0083	5.586	3	113.3192	10.598	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|F<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	121.7880	0.000	1	119.8311	8.673	14	119.8311	8.673	14	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	118.2670	0.000	1	119.8311	8.673	14	119.8311	8.673	14	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	120.3521	0.517	7	119.8311	8.673	14	119.8311	8.673	14	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){3|C<3>,4|H<1>}	122.9920	0.000	1	119.8311	8.673	14	119.8311	8.673	14	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){3|C<3>,4|H<1>}	110.7860	0.000	1	119.8311	8.673	14	119.8311	8.673	14	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	120.4460	2.239	3	119.8311	8.673	14	119.8311	8.673	14	119.3389	11.688	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){4|H<1>,5|C<3>}	111.4050	0.000	1	117.0103	24.697	3	117.0103	24.697	3	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,4|C<3>,4|H<1>}	119.8130	1.505	2	117.0103	24.697	3	117.0103	24.697	3	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	113.5490	0.000	1	113.5490	0.000	1	113.5490	0.000	1	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H){1|N<2>,1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	116.0005	0.217	2	116.0005	0.047	2	116.0005	0.047	2	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	113.0250	4.673	2	113.0250	21.833	2	114.9513	22.049	3	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,4|C<3>,4|H<1>}	118.8040	0.000	1	118.8040	0.000	1	114.9513	22.049	3	115.8834	11.970	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|O<2>,2|C<3>,3|H<1>}	111.9015	0.291	2	111.9015	0.084	2	112.4363	0.900	3	112.4363	0.900	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:3:3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,3|H<1>}	113.5060	0.000	1	113.5060	0.000	1	112.4363	0.900	3	112.4363	0.900	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){1|C<4>,3|C<3>,3|H<1>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	111.6337	0.623	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6337	0.623	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	111.6337	0.623	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:4:3:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.5040	0.000	1	112.5040	0.000	1	113.2900	1.236	2	113.2900	1.236	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	3:4:4:3:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.0760	0.000	1	114.0760	0.000	1	113.2900	1.236	2	113.2900	1.236	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:2:2:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO){1|C<3>,2|O<2>,4|H<1>}	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:2:2:1:	4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	113.7757	25.628	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:2:2:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	110.8620	0.566	2	110.8620	0.320	2	110.8620	0.320	2	113.7757	25.628	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.8995	1.152	2	108.8995	1.327	2	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6770	0.000	1	110.6770	0.000	1	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	117.0500	0.000	1	117.0500	0.000	1	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.2710	0.000	1	109.8653	0.281	11	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.1950	1.254	2	109.8653	0.281	11	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.7321	0.318	8	109.8653	0.281	11	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	115.1650	0.000	1	115.1650	0.000	1	110.5756	5.219	16	111.1910	11.332	17	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O){1|C<3>,2|H<1>,3|C<4>}	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.4537	2.854	3	109.4537	8.146	3	109.4537	8.146	3	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O){1|C<3>,2|C<4>,4|H<1>}	121.1620	0.000	1	121.1620	0.000	1	121.1620	0.000	1	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.4050	0.000	1	109.4050	0.000	1	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.7040	0.000	1	116.7040	0.000	1	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.7170	1.625	3	110.7315	1.667	11	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.7255	1.247	2	110.7315	1.667	11	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.2408	1.019	6	110.7315	1.667	11	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.9040	1.471	2	110.9363	3.365	4	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.4150	0.000	1	110.9363	3.365	4	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.5220	0.000	1	110.9363	3.365	4	111.0530	3.913	17	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	108.7140	0.000	1	108.7140	0.000	1	114.3920	64.479	2	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.0700	0.000	1	120.0700	0.000	1	114.3920	64.479	2	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.4450	0.000	1	107.4450	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.0205	0.456	2	111.0205	0.208	2	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.7070	0.000	1	107.7070	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.9370	0.000	1	107.9370	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.7250	0.000	1	107.7250	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.3140	0.000	1	109.3140	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.9260	1.208	2	112.7168	10.730	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	116.5090	0.000	1	112.7168	10.730	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	115.1555	0.896	2	112.7168	10.730	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.6290	0.000	1	112.7168	10.730	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.6007	2.343	3	112.0115	2.852	10	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.7330	0.000	1	112.0115	2.852	10	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.6775	1.083	2	112.0115	2.852	10	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.0563	0.815	4	112.0115	2.852	10	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.6410	0.000	1	113.4210	19.073	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	114.7540	0.535	2	113.4210	19.073	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.1210	0.000	1	113.4210	19.073	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.3080	0.000	1	113.4210	19.073	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,3|C<3>,3|H<1>}	120.9480	0.000	1	113.4210	19.073	6	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.5180	0.441	2	110.5180	0.195	2	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.0080	0.750	2	109.0080	0.562	2	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.8600	0.000	1	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.3550	0.226	2	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	115.2750	0.000	1	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.2370	0.000	1	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.6500	0.000	1	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.8570	0.666	4	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.1960	0.000	1	111.2142	3.086	11	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.2230	0.000	1	112.2230	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.0590	0.000	1	110.0590	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.2100	0.000	1	109.2100	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.2310	0.759	2	109.8331	0.668	9	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.7194	0.853	7	109.8331	0.668	9	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.7300	0.000	1	108.7300	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.1163	0.630	4	109.2323	0.266	7	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.3870	0.373	3	109.2323	0.266	7	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.1780	4.121	2	113.1780	16.983	2	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.3000	0.000	1	112.3000	0.000	1	110.9481	6.132	67	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.7450	0.000	1	111.7450	0.000	1	111.5334	2.395	7	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|C<4>,1|N<3>,5|H<1>}	114.4570	0.000	1	114.4570	0.000	1	111.5334	2.395	7	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	110.6577	1.032	3	110.6577	1.064	3	111.5334	2.395	7	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	111.2795	1.105	2	111.2795	1.221	2	111.5334	2.395	7	111.1344	7.180	98	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:S-2:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC){1|S<4>,2|H<1>,3|C<3>}	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH){1|C<4>,2|C<3>,4|H<1>}	109.9670	0.000	1	109.9670	0.000	1	113.7620	8.198	6	113.7620	8.198	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCO){1|O<2>,2|C<3>,4|H<1>}	110.2900	0.000	1	110.2900	0.000	1	113.7620	8.198	6	113.7620	8.198	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCC)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCC){1|C<3>,1|N<3>,4|H<1>}	114.8400	0.000	1	114.8400	0.000	1	113.7620	8.198	6	113.7620	8.198	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	115.5320	0.000	1	115.5320	0.000	1	113.7620	8.198	6	113.7620	8.198	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|S<4>,2|H<1>,3|C<3>}	116.4590	0.000	1	116.4590	0.000	1	113.7620	8.198	6	113.7620	8.198	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CCO)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CCO){1|C<3>,1|O<2>,3|H<1>}	115.4840	0.000	1	115.4840	0.000	1	113.7620	8.198	6	113.7620	8.198	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O){2|H<1>,4|C<3>}	113.9190	0.635	2	113.9190	0.403	2	113.9190	0.403	2	111.3982	7.858	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	111.3982	7.858	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]Cl)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Cl)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	108.6990	1.119	2	108.6990	1.251	2	108.6990	1.251	2	111.3982	7.858	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	111.3982	7.858	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	111.3880	1.591	2	111.3880	2.531	2	111.3880	2.531	2	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	113.6904	0.897	5	113.6904	0.805	5	113.6904	0.805	5	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,2|C<3>,4|H<1>}	110.3410	0.000	1	110.3410	0.000	1	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,2|C<3>,4|H<1>}	110.0393	1.277	4	110.0393	1.631	4	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CSiH)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CSiH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	114.8560	0.000	1	114.8560	0.000	1	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.4060	0.000	1	118.4060	0.000	1	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	116.3440	0.447	2	116.3440	0.200	2	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	116.0300	1.433	2	116.0300	2.052	2	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	113.6440	0.000	1	113.6440	0.000	1	113.5127	10.903	12	113.3358	7.460	19	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.7640	0.158	2	111.7640	0.025	2	111.7640	0.025	2	111.7640	0.025	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]H)(H)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	113.9787	0.289	3	113.9787	0.083	3	113.9787	0.083	3	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]H)(H)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6060	1.953	2	110.6060	3.814	2	110.6060	3.814	2	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.2730	0.000	1	111.2730	0.000	1	111.2253	2.173	3	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.7280	0.000	1	109.7280	0.000	1	111.2253	2.173	3	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	112.6750	0.000	1	112.6750	0.000	1	111.2253	2.173	3	112.2918	3.099	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-2:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5])(CN)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5])(CN){1|H<1>,1|O<2>,5|C<3>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	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>}	120.0120	0.000	1	120.0120	0.000	1	120.0120	0.000	1	114.8820	52.634	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:2:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	114.8820	52.634	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.4470	0.000	1	111.3990	0.005	2	111.3990	0.005	2	111.4410	0.645	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.3510	0.000	1	111.3990	0.005	2	111.3990	0.005	2	111.4410	0.645	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.8720	0.000	1	110.8720	0.000	1	111.4690	1.284	3	111.4410	0.645	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7590	0.000	1	111.7675	2.034	2	111.4690	1.284	3	111.4410	0.645	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<3>}	112.7760	0.000	1	111.7675	2.034	2	111.4690	1.284	3	111.4410	0.645	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	119.2800	0.688	3	119.2800	0.474	3	119.2800	0.474	3	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:B[5]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|B<3>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H){3|H<1>,4|C<3>}	111.5020	1.308	2	111.5020	1.711	2	111.5020	1.711	2	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	117.0300	0.000	1	117.0300	0.000	1	114.1460	16.635	2	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.2620	0.000	1	111.2620	0.000	1	114.1460	16.635	2	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.8555	0.179	2	113.8555	0.032	2	113.6317	0.166	3	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.1840	0.000	1	113.1840	0.000	1	113.6317	0.166	3	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	110.4840	0.000	1	110.4840	0.000	1	111.1025	0.765	2	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	111.7210	0.000	1	111.7210	0.000	1	111.1025	0.765	2	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.1340	0.000	1	115.1340	0.000	1	110.7567	14.774	3	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.5680	0.898	2	108.5680	0.806	2	110.7567	14.774	3	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){3|C<3>,4|H<1>}	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.1135	1.097	2	111.9807	2.857	3	111.6843	3.478	7	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.7150	0.000	1	111.9807	2.857	3	111.6843	3.478	7	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.3665	0.211	2	113.3665	0.045	2	111.6843	3.478	7	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.5575	0.374	2	109.5575	0.140	2	111.6843	3.478	7	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	112.5064	10.601	27	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|N<3>,2|C<3>,3|H<1>}	111.6584	1.593	13	111.6584	2.536	13	111.6584	2.536	13	111.6584	2.536	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:3:4:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:B[5]-3:C[6]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.3175	0.019	2	112.3175	0.000	2	112.3175	0.000	2	112.3175	0.000	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O)	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O){1|C<3>,2|H<1>,3|C<4>}	107.5280	0.000	1	107.5280	0.000	1	108.0540	0.553	2	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O){1|C<3>,2|C<4>,3|H<1>}	108.5800	0.000	1	108.5800	0.000	1	108.0540	0.553	2	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O){2|C<3>,2|H<1>,3|C<4>}	110.9970	0.000	1	110.9970	0.000	1	111.7490	1.131	2	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O)	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O){2|C<3>,2|C<4>,3|H<1>}	112.5010	0.000	1	112.5010	0.000	1	111.7490	1.131	2	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.2770	0.000	1	113.2770	0.000	1	112.6560	1.122	4	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.2360	0.000	1	111.2360	0.000	1	112.6560	1.122	4	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.0555	0.803	2	113.0555	0.644	2	112.6560	1.122	4	111.2788	4.840	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.1020	0.000	1	111.1020	0.000	1	111.4247	0.104	3	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.7460	0.000	1	111.7460	0.000	1	111.4247	0.104	3	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.4260	0.000	1	111.4260	0.000	1	111.4247	0.104	3	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.6970	0.000	1	113.6970	0.000	1	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.8140	0.000	1	110.8140	0.000	1	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.8330	0.000	1	113.8330	0.000	1	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.5640	0.000	1	113.5640	0.000	1	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.5430	0.645	2	112.5430	0.416	2	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.2090	0.000	1	111.2090	0.000	1	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.7065	3.306	2	112.7065	10.928	2	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4020	0.000	1	112.4020	0.000	1	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.2925	1.159	2	113.2925	1.343	2	112.7169	2.030	12	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	112.5374	1.869	16	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:3:4:	C[6]-4:S[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	113.1465	0.308	2	113.1465	0.095	2	113.1465	0.095	2	113.1465	0.095	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H){1|O<1>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	106.9890	0.540	2	106.9890	0.292	2	108.3837	5.981	3	108.3837	5.981	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(O){1|C<4>,1|H<1>,4|C<3>}	111.1730	0.000	1	111.1730	0.000	1	108.3837	5.981	3	108.3837	5.981	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:3:4:3:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(O){1|O<2>,3|C<3>,3|C<4>}	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,4x6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,4x6]C[6]H)(O[5]C[5,6,6])(O)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,4x6]C[6]H)(O[5]C[5,6,6])(O){3|H<1>,4|C<4>}	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){1|C<3>,3|C<4>,3|H<1>}	113.2210	0.000	1	112.7820	0.385	2	113.0893	0.136	6	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){2|C<3>,2|C<4>,3|H<1>}	112.3430	0.000	1	112.7820	0.385	2	113.0893	0.136	6	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){3|C<4>,4|H<1>}	113.2430	0.059	4	113.2430	0.003	4	113.0893	0.136	6	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(O){1|C<3>,3|C<4>,3|H<1>}	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){2|C<4>,5|H<1>}	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(O){1|N<3>,2|C<4>,4|H<1>}	109.8200	0.025	2	109.8200	0.001	2	110.8421	1.128	10	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)2(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	111.0976	1.038	8	111.0976	1.078	8	110.8421	1.128	10	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){2|C<3>,2|C<4>,3|H<1>}	110.4220	0.000	1	110.4220	0.000	1	117.1525	90.599	2	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	123.8830	0.000	1	123.8830	0.000	1	117.1525	90.599	2	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	103.4400	0.000	1	103.4400	0.000	1	103.4400	0.000	1	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){2|C<3>,2|C<4>,3|H<1>}	109.8290	0.000	1	109.8290	0.000	1	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){3|C<4>,4|H<1>}	108.8700	0.000	1	108.8700	0.000	1	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){2|C<4>,5|H<1>}	107.7450	0.000	1	107.7450	0.000	1	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){2|C<4>,5|H<1>}	107.1090	0.000	1	107.1090	0.000	1	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	108.5260	0.000	1	108.5260	0.000	1	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){2|C<4>,5|H<1>}	108.3470	0.000	1	108.3470	0.000	1	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,5|H<1>}	109.9373	0.642	4	109.9373	0.413	4	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.4635	0.474	2	108.4635	0.225	2	108.9252	1.090	12	110.6548	10.570	35	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O){2|C<3>,2|C<4>,2|H<1>}	113.2950	0.000	1	113.2950	0.000	1	114.7483	6.597	3	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	117.7140	0.000	1	117.7140	0.000	1	114.7483	6.597	3	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	113.2360	0.000	1	113.2360	0.000	1	114.7483	6.597	3	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.2010	0.252	2	112.2010	0.063	2	112.2010	0.063	2	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,5|H<1>}	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]F)(H)	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]F)(H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	115.0125	0.868	2	115.0125	0.753	2	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|O<2>,3|H<1>}	117.4290	0.000	1	115.4320	2.820	7	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	113.6905	1.483	2	115.4320	2.820	7	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.5800	0.000	1	115.4320	2.820	7	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	116.2980	0.000	1	115.4320	2.820	7	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	114.0590	0.000	1	115.4320	2.820	7	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	116.2770	0.000	1	115.4320	2.820	7	115.3388	2.243	9	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(O)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(O){1|O<2>,3|C<4>,3|H<1>}	108.0840	0.000	1	108.0840	0.000	1	112.5580	40.033	2	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	117.0320	0.000	1	117.0320	0.000	1	112.5580	40.033	2	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	106.2755	0.033	2	106.2755	0.001	2	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]H)(O){3|C<4>,4|H<1>}	107.5460	0.000	1	107.5460	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O){2|C<4>,2|O<2>,3|H<1>}	108.9650	0.000	1	108.9650	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C[6a])(O)	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C[6a])(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.6470	0.000	1	110.6470	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.5395	0.349	2	121.5395	0.122	2	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C[6])(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.4860	5.630	2	109.4860	31.697	2	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|O<1>,2|C<4>,3|H<1>}	117.0230	7.263	4	117.0230	52.756	4	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.6406	3.866	10	111.6406	14.943	10	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	115.1890	0.000	1	115.1890	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.0250	0.000	1	108.0250	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.7700	0.000	1	113.7700	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.3435	1.064	2	111.8515	1.801	4	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.3595	1.800	2	111.8515	1.801	4	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.0220	0.000	1	109.0220	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.5420	0.000	1	111.5420	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.0920	0.000	1	113.0920	0.000	1	112.2516	23.770	33	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.5375	1.832	2	110.5375	3.357	2	111.3039	1.096	17	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	110.8960	0.789	2	111.5709	0.802	13	111.3039	1.096	17	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	111.5503	1.014	8	111.5709	0.802	13	111.3039	1.096	17	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	112.0760	0.253	3	111.5709	0.802	13	111.3039	1.096	17	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.8690	0.000	1	110.8690	0.000	1	111.3039	1.096	17	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.8010	0.000	1	109.8010	0.000	1	111.3039	1.096	17	112.6932	16.901	68	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:B[5]-3:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(B[5]O[5]O)(CHH)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(B[5]O[5]O)(CHH){2|H<1>,3|C<4>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH)	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	112.2295	0.095	2	112.2295	0.009	2	112.2295	0.009	2	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	110.0030	0.000	1	110.3063	0.541	3	110.3063	0.541	3	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	110.4580	0.972	2	110.3063	0.541	3	110.3063	0.541	3	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){3|C<4>,4|H<1>}	111.4210	0.000	1	111.4210	0.000	1	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	112.1890	0.810	5	112.1890	0.657	5	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	111.7775	0.598	4	111.5942	0.302	6	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){3|C<4>,4|H<1>}	111.2275	0.177	2	111.5942	0.302	6	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	112.4417	0.680	3	112.4417	0.463	3	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.6210	0.822	2	112.0530	0.655	4	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	111.4850	0.030	2	112.0530	0.655	4	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.7226	0.635	5	111.5260	0.554	6	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	110.5430	0.000	1	111.5260	0.554	6	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	123.1550	0.000	1	123.1550	0.000	1	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	122.7730	0.098	2	123.0500	0.235	3	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	123.6040	0.000	1	123.0500	0.235	3	113.4113	15.953	29	112.9110	14.489	36	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	110.0845	0.426	2	110.0845	0.182	2	109.5720	0.354	5	109.5720	0.354	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	109.4690	0.137	2	109.4690	0.019	2	109.5720	0.354	5	109.5720	0.354	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.7530	0.000	1	108.7530	0.000	1	109.5720	0.354	5	109.5720	0.354	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<1>,4|C<4>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O){3|H<1>,4|C<4>}	115.5740	0.000	1	113.9963	3.136	3	113.9963	3.136	3	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	113.2075	1.593	2	113.9963	3.136	3	113.9963	3.136	3	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]CH)(O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	121.1680	0.000	1	121.1680	0.000	1	121.1680	0.000	1	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<1>,2|H<1>,6|C<4>}	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>}	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<4>,5|H<1>}	103.1620	0.000	1	103.1620	0.000	1	103.1620	0.000	1	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	107.0615	0.244	2	107.0615	0.060	2	114.5574	53.565	5	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	115.3430	0.000	1	115.3430	0.000	1	114.5574	53.565	5	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	121.6605	0.547	2	121.6605	0.299	2	114.5574	53.565	5	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O){2|H<1>,3|C<4>}	105.7890	0.000	1	109.8853	12.601	3	109.8853	12.601	3	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O){2|H<1>,3|C<4>}	111.9335	0.180	2	109.8853	12.601	3	109.8853	12.601	3	113.2289	32.858	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(NO){3|C<4>,4|H<1>}	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	110.1480	0.000	1	110.1480	0.000	1	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	109.6897	0.445	3	109.6897	0.198	3	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){1|O<2>,3|C<4>,3|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	111.2420	1.219	2	111.2420	1.486	2	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH){3|C<4>,4|H<1>}	113.4740	0.000	1	113.4740	0.000	1	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	109.4935	0.190	2	109.4935	0.036	2	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	110.8670	0.603	4	110.8670	0.364	4	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	110.3320	0.712	3	110.7157	0.927	4	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){3|C<4>,4|H<1>}	111.8670	0.000	1	110.7157	0.927	4	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.0110	0.000	1	114.0110	0.000	1	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|O<2>,2|C<4>,4|H<1>}	110.5100	0.000	1	110.5100	0.000	1	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|O<2>,3|C<4>,3|H<1>}	110.4003	0.090	3	110.4003	0.008	3	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.9590	0.000	1	111.9590	0.000	1	110.7607	1.462	24	110.7607	1.462	24	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.2160	0.000	1	108.4155	0.080	2	108.4155	0.080	2	108.5405	0.094	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(O){1|H<1>,1|O<2>,5|C<4>}	108.6150	0.000	1	108.4155	0.080	2	108.4155	0.080	2	108.5405	0.094	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){1|O<2>,2|C<4>,4|H<1>}	108.6655	0.375	2	108.6655	0.141	2	108.6655	0.141	2	108.5405	0.094	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-2:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CCC){1|O<2>,3|C<4>,3|H<1>}	111.9720	0.329	3	111.9720	0.108	3	111.9720	0.108	3	111.9720	0.108	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){1|O<2>,2|C<4>,2|H<1>}	117.9120	0.000	1	117.9120	0.000	1	117.9120	0.000	1	115.0835	16.001	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]O)(COO)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]O)(COO){1|C<4>,2|H<1>,2|O<2>}	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	115.0835	16.001	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	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>}	125.3730	0.000	1	125.3730	0.000	1	125.3730	0.000	1	125.3730	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.4315	0.074	2	112.3852	14.097	6	112.3852	14.097	6	112.3852	14.097	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.6505	1.411	2	112.3852	14.097	6	112.3852	14.097	6	112.3852	14.097	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.0735	0.910	2	112.3852	14.097	6	112.3852	14.097	6	112.3852	14.097	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){1|C<3>,3|C<4>,3|H<1>}	107.1850	0.000	1	107.1850	0.000	1	119.7054	50.246	5	116.5569	40.527	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	122.3930	0.827	2	122.3930	0.684	2	119.7054	50.246	5	116.5569	40.527	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	123.2780	1.888	2	123.2780	3.564	2	119.7054	50.246	5	116.5569	40.527	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.8395	0.336	2	111.8395	0.113	2	111.8395	0.113	2	116.5569	40.527	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	112.8600	0.000	1	112.8600	0.000	1	112.8600	0.000	1	116.5569	40.527	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	115.6867	6.862	3	115.6867	47.082	3	115.6867	47.082	3	116.5569	40.527	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	115.8140	0.569	2	115.8140	0.323	2	114.5085	2.380	4	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.2030	0.007	2	113.2030	0.000	2	114.5085	2.380	4	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.3930	0.000	1	111.3930	0.000	1	111.4657	1.728	3	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.1890	0.000	1	110.1890	0.000	1	111.4657	1.728	3	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	112.8150	0.000	1	112.8150	0.000	1	111.4657	1.728	3	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O){1|C<3>,2|C<4>,4|H<1>}	115.8650	0.272	3	115.8650	0.074	3	116.7618	4.541	5	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	120.5550	0.000	1	120.5550	0.000	1	116.7618	4.541	5	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.6590	0.000	1	115.6590	0.000	1	116.7618	4.541	5	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	122.3530	0.000	1	122.3530	0.000	1	118.7133	9.989	3	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	116.6620	0.000	1	116.6620	0.000	1	118.7133	9.989	3	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.1250	0.000	1	117.1250	0.000	1	118.7133	9.989	3	115.4920	10.031	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:2:	4:3:1:	S[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	111.4900	0.317	2	111.4900	0.100	2	111.4900	0.100	2	111.4900	0.100	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:3:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,3|C<3>,3|H<1>}	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:3:3:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,3|H<1>,5|C<3>}	119.9130	0.000	1	119.9130	0.000	1	119.9130	0.000	1	119.9130	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){2|H<1>,2|O<2>,3|C<4>}	113.9150	0.949	2	113.9150	0.900	2	113.9150	0.900	2	112.1951	19.048	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	112.1951	19.048	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	110.0533	2.110	3	110.0533	4.454	3	112.1668	28.909	5	112.1951	19.048	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	109.2860	0.000	1	109.2860	0.000	1	112.1668	28.909	5	112.1951	19.048	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){3|C<4>,4|H<1>}	121.3880	0.000	1	121.3880	0.000	1	112.1668	28.909	5	112.1951	19.048	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	112.2340	0.974	2	112.2340	0.949	2	112.2340	0.949	2	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	121.8310	0.000	1	121.8310	0.000	1	115.0453	12.547	7	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	114.9310	0.000	1	114.9310	0.000	1	115.0453	12.547	7	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.1400	0.000	1	111.1400	0.000	1	115.0453	12.547	7	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.2800	0.000	1	115.2800	0.000	1	115.0453	12.547	7	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.0450	2.336	3	114.0450	5.456	3	115.0453	12.547	7	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	114.3170	0.263	3	114.3170	0.069	3	113.7332	1.409	4	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	111.9820	0.000	1	111.9820	0.000	1	113.7332	1.409	4	114.2091	7.838	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	113.1310	0.000	1	113.1310	0.000	1	112.7355	0.075	4	112.7355	0.075	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	112.6037	0.090	3	112.6037	0.008	3	112.7355	0.075	4	112.7355	0.075	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	112.2510	0.000	1	110.7453	1.745	3	110.7453	1.745	3	110.7453	1.745	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	109.9925	0.301	2	110.7453	1.745	3	110.7453	1.745	3	110.7453	1.745	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,5|C<4>}	122.9605	0.787	2	122.9605	0.619	2	122.9605	0.619	2	122.9605	0.619	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:3:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	112.1485	1.225	4	112.1485	1.501	4	112.1485	1.501	4	112.1485	1.501	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:3:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(O){2|H<1>,5|C<4>}	109.8232	0.669	6	109.8232	0.447	6	109.8232	0.447	6	112.0727	14.321	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O){1|H<1>,6|C<4>}	109.2850	0.000	1	109.2850	0.000	1	115.4470	16.917	4	112.0727	14.321	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,2|H<1>,4|C<4>}	117.5010	0.249	3	117.5010	0.062	3	115.4470	16.917	4	112.0727	14.321	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	117.6859	0.787	11	117.6859	0.619	11	117.6859	0.619	11	117.6859	0.619	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	119.1945	0.006	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	3:4:3:1:	4:2:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	119.1945	0.006	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	3:4:4:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,4|C<3>,4|H<1>}	112.1725	0.902	2	112.1725	0.813	2	112.1725	0.813	2	112.1725	0.813	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	120.2360	0.000	1	120.2360	0.000	1	119.3030	1.741	2	116.9283	18.732	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	118.3700	0.000	1	118.3700	0.000	1	119.3030	1.741	2	116.9283	18.732	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	116.9283	18.732	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|C<4>,3|C<3>,3|H<1>}	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	116.9283	18.732	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO)	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,4|H<1>}	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	113.1610	86.698	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	113.1610	86.698	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:2:1:	4:2:3:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-2:N-3:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(NHH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<2>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(NHH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:2:1:	4:3:4:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	112.7682	0.705	4	112.7682	0.497	4	112.7682	0.497	4	111.7709	1.652	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.7709	1.652	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	111.7709	1.652	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.7590	0.173	2	110.7590	0.030	2	110.7590	0.030	2	111.7709	1.652	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:3:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	113.4670	0.000	1	113.4670	0.000	1	110.9134	3.451	8	110.9134	3.451	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	110.5490	1.828	6	110.5486	2.784	7	110.9134	3.451	8	110.9134	3.451	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	110.5460	0.000	1	110.5486	2.784	7	110.9134	3.451	8	110.9134	3.451	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|C<4>,3|C<3>,3|H<1>}	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	111.4207	1.006	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	110.8455	0.162	2	110.8455	0.026	2	110.8455	0.026	2	111.4207	1.006	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5]H)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	110.1928	1.713	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	110.1928	1.713	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	110.5260	0.000	1	110.5260	0.000	1	109.5378	1.087	4	110.1928	1.713	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	110.3510	0.000	1	110.3510	0.000	1	109.5378	1.087	4	110.1928	1.713	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.6370	0.007	2	108.6370	0.000	2	109.5378	1.087	4	110.1928	1.713	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	112.5485	0.286	2	112.5485	0.082	2	112.5485	0.082	2	112.5485	0.082	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.3890	0.333	3	109.3890	0.111	3	109.3890	0.111	3	109.3890	0.111	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:3:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.4528	0.210	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5]){1|N<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	109.5337	0.486	4	109.5337	0.236	4	109.5337	0.236	4	109.4528	0.210	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:2:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:C-3:	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H)	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H){1|O<1>,2|C<4>,4|H<1>}	112.4685	0.739	2	112.4685	0.546	2	112.4685	0.546	2	112.4685	0.546	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O)	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6]){2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O){3|H<1>,4|C<4>}	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	114.1120	0.000	1	114.1120	0.000	1	113.5307	3.147	3	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]N[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5]){1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]N[5]H)(H){2|C<4>,4|H<1>}	113.2400	2.406	2	113.2400	5.787	2	113.5307	3.147	3	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	113.0327	1.184	4	113.0327	1.401	4	113.4608	1.967	5	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	115.1730	0.000	1	115.1730	0.000	1	113.4608	1.967	5	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.3367	0.394	3	116.3367	0.155	3	114.4472	7.380	5	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	111.6130	1.560	2	111.6130	2.433	2	114.4472	7.380	5	113.1313	7.481	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.4490	0.000	1	116.4490	0.000	1	113.0353	2.478	19	113.0480	2.288	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.0190	2.049	2	113.0190	4.199	2	113.0353	2.478	19	113.0480	2.288	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<4>,4|H<1>}	113.6033	1.424	4	113.6033	2.027	4	113.0353	2.478	19	113.0480	2.288	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	112.5643	1.304	12	112.5643	1.702	12	113.0353	2.478	19	113.0480	2.288	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Se-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a])	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a]){1|C<3>,2|C<4>,5|H<1>}	113.1685	1.057	2	113.1685	1.118	2	113.1685	1.118	2	113.0480	2.288	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	113.5279	4.126	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC){1|O<1>,2|C<4>,4|H<1>}	113.4635	3.490	2	113.4635	12.177	2	113.1192	6.462	4	113.5279	4.126	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH){1|C<3>,2|C<4>,4|H<1>}	112.7750	2.595	2	112.7750	6.734	2	113.1192	6.462	4	113.5279	4.126	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO)	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,4|H<1>}	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.5279	4.126	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH)	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH){1|O<1>,2|C<4>,4|H<1>}	112.8140	0.874	2	112.8140	0.764	2	112.8140	0.764	2	113.5279	4.126	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|Br<1>,2|C<4>,4|H<1>}	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	114.4785	116.693	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|C<3>,3|C<4>,3|H<1>}	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	114.4785	116.693	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	112.3420	0.000	1	112.3420	0.000	1	110.6059	1.079	7	111.2236	2.775	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	111.0960	0.000	1	111.0960	0.000	1	110.6059	1.079	7	111.2236	2.775	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	110.9525	0.216	2	110.9525	0.047	2	110.6059	1.079	7	111.2236	2.775	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	109.7540	0.000	1	109.7540	0.000	1	110.6059	1.079	7	111.2236	2.775	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	109.5720	0.266	2	109.5720	0.071	2	110.6059	1.079	7	111.2236	2.775	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H){2|C<4>,6|H<1>}	113.3855	1.924	2	113.3855	3.702	2	113.3855	3.702	2	111.2236	2.775	9	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(O){1|S<2>,2|H<1>,4|C<4>}	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.2800	0.242	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	110.2800	0.242	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:2:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:N-2:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.4960	0.000	1	115.4960	0.000	1	115.4960	0.000	1	115.4960	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:2:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:2:2:	4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:O[5]-2:N-2:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(NH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(NH){1|H<1>,1|O<2>,2|C<2>,3|C<4>}	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	110.5173	1.169	6	109.9760	2.174	8	109.9760	2.174	8	109.9760	2.174	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	109.1740	0.000	1	109.9760	2.174	8	109.9760	2.174	8	109.9760	2.174	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	107.5300	0.000	1	109.9760	2.174	8	109.9760	2.174	8	109.9760	2.174	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	107.3265	1.261	2	107.3265	1.590	2	107.0602	0.625	4	108.0422	3.380	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	106.7940	0.028	2	106.7940	0.001	2	107.0602	0.625	4	108.0422	3.380	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	110.0060	1.860	2	110.0060	3.458	2	110.0060	3.458	2	108.0422	3.380	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	110.9083	10.002	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	110.9083	10.002	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	110.9083	10.002	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:4:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:N-2:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,3|C<4>,3|H<1>}	117.1540	0.000	1	117.1540	0.000	1	117.1540	0.000	1	117.1540	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:4:1:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6]){1|C<4>,8|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(O){3|C<4>,5|H<1>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	108.8382	7.306	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	108.8382	7.306	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	104.5600	0.000	1	108.2030	9.954	3	108.2030	9.954	3	108.8382	7.306	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.9970	0.000	1	108.2030	9.954	3	108.2030	9.954	3	108.8382	7.306	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.0520	0.000	1	108.2030	9.954	3	108.2030	9.954	3	108.8382	7.306	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,6|H<1>}	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	108.8382	7.306	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.8470	0.000	1	115.8470	0.000	1	115.8470	0.000	1	115.8470	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.3910	1.722	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	108.7100	0.000	1	110.4287	2.574	3	110.4287	2.574	3	110.3910	1.722	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	110.6890	0.000	1	110.4287	2.574	3	110.4287	2.574	3	110.3910	1.722	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	111.8870	0.000	1	110.4287	2.574	3	110.4287	2.574	3	110.3910	1.722	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,9|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.9767	2.147	6	109.9767	4.609	6	109.9767	4.609	6	109.9767	4.609	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:3:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]N[5])(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(O[5]N[5])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	115.2050	0.000	1	115.2050	0.000	1	115.2050	0.000	1	115.2050	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:4:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	114.6310	0.000	1	114.6310	0.000	1	114.6310	0.000	1	114.6310	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H)	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:2:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H)	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]N)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:2:2:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:N-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a])	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	109.5505	0.248	2	109.5505	0.062	2	109.5505	0.062	2	109.5505	0.062	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	110.9260	37.022	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|O<1>,1|O<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	103.8390	0.000	1	103.8390	0.000	1	103.8390	0.000	1	110.9260	37.022	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.9260	37.022	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|N<3>,4|H<1>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.9260	37.022	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	110.2280	0.984	2	110.2280	0.969	2	110.2280	0.969	2	110.2280	0.969	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	106.4390	0.000	1	106.4390	0.000	1	114.3948	30.528	4	113.1920	30.129	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	117.0467	1.896	3	117.0467	3.597	3	114.3948	30.528	4	113.1920	30.129	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|O<1>,1|O<3>,1|S<2>,2|C<4>,5|H<1>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	113.1920	30.129	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:2:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S){1|O<2>,2|H<1>,4|C<3>}	115.9985	0.293	2	115.9985	0.086	2	115.9985	0.086	2	113.4843	19.006	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	113.4843	19.006	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|H<1>,8|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	108.3455	1.146	2	108.3455	1.314	2	108.3455	1.314	2	109.7720	6.221	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,3|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.2583	3.217	4	110.2583	10.351	4	110.2583	10.351	4	109.7720	6.221	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.2260	2.399	2	110.2260	5.753	2	110.2260	5.753	2	109.7720	6.221	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	109.2747	3.815	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(O){1|C<4>,2|C<3>,6|H<1>}	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.2747	3.815	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]N[5])(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(O[5]N[5])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	109.2747	3.815	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.4352	0.592	5	112.4352	0.350	5	112.4352	0.350	5	112.5097	4.925	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.7080	5.107	2	113.7080	26.079	2	113.7080	26.079	2	112.5097	4.925	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	112.5097	4.925	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	109.7723	1.285	7	109.7723	1.651	7	109.7723	1.651	7	110.1323	5.718	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]C)(O){1|N<3>,3|C<3>,3|H<1>}	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	110.1323	5.718	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	111.5576	3.309	5	111.5576	10.949	5	111.5576	10.949	5	110.1323	5.718	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	108.9350	2.744	2	108.9350	7.527	2	108.9350	7.527	2	110.1323	5.718	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a]O)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a]O)(O){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	101.0680	0.000	1	101.0680	0.000	1	101.0680	0.000	1	107.2243	28.436	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.3025	0.148	2	110.3025	0.022	2	110.3025	0.022	2	107.2243	28.436	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.1745	1.493	2	109.1745	2.228	2	111.2382	13.389	8	111.2382	13.389	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.5555	4.178	2	114.5555	17.458	2	111.2382	13.389	8	111.2382	13.389	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	107.8780	1.806	2	110.6115	13.979	4	111.2382	13.389	8	111.2382	13.389	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|H<1>,8|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	113.3450	2.964	2	110.6115	13.979	4	111.2382	13.389	8	111.2382	13.389	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.9082	1.555	5	110.9082	2.419	5	111.1040	3.220	11	111.1040	3.220	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	110.1730	0.000	1	110.1730	0.000	1	111.1040	3.220	11	111.1040	3.220	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.8700	0.000	1	110.8700	0.000	1	111.1040	3.220	11	111.1040	3.220	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.5580	1.539	2	111.6400	6.753	4	111.1040	3.220	11	111.1040	3.220	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	115.2920	0.000	1	111.6400	6.753	4	111.1040	3.220	11	111.1040	3.220	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.1520	0.000	1	111.6400	6.753	4	111.1040	3.220	11	111.1040	3.220	11	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	111.6098	1.051	5	111.6098	1.105	5	111.8485	2.529	11	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	113.1230	0.000	1	113.1230	0.000	1	111.8485	2.529	11	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	113.5480	0.000	1	113.5480	0.000	1	111.8485	2.529	11	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	112.3265	0.370	2	111.4032	5.093	4	111.8485	2.529	11	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	108.0580	0.000	1	111.4032	5.093	4	111.8485	2.529	11	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	112.9020	0.000	1	111.4032	5.093	4	111.8485	2.529	11	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	111.6461	2.504	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.4800	0.000	1	111.8110	0.219	2	111.8110	0.219	2	111.8110	0.219	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	112.1420	0.000	1	111.8110	0.219	2	111.8110	0.219	2	111.8110	0.219	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	112.0457	30.947	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O){2|C<4>,5|H<1>}	107.5620	0.000	1	107.5620	0.000	1	111.8033	36.643	6	112.0457	30.947	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	105.6780	0.000	1	105.6780	0.000	1	111.8033	36.643	6	112.0457	30.947	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<3>,1|C<4>,5|H<1>}	119.4160	0.000	2	119.4160	0.000	2	111.8033	36.643	6	112.0457	30.947	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<3>,1|C<4>,5|H<1>}	109.3740	0.000	2	109.3740	0.000	2	111.8033	36.643	6	112.0457	30.947	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:2:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:N-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a])	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	112.5970	0.086	2	112.5970	0.007	2	112.5970	0.007	2	112.5970	0.007	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.5390	0.239	3	108.5390	0.057	3	108.5390	0.057	3	108.5390	0.057	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.0360	0.000	1	115.0360	0.000	1	115.0360	0.000	1	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.2160	0.000	1	110.2160	0.000	1	110.0607	1.181	4	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	110.0090	1.325	3	110.0090	1.756	3	110.0607	1.181	4	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>,3|H<1>}	109.2740	0.839	3	109.2740	0.703	3	109.2740	0.703	3	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	108.0550	0.000	1	108.0550	0.000	1	112.1985	34.337	2	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	116.3420	0.000	1	116.3420	0.000	1	112.1985	34.337	2	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	110.1990	0.000	1	110.1990	0.000	1	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	112.4010	0.000	1	112.4010	0.000	1	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	107.9410	2.533	2	109.4407	9.955	3	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){3|C<4>,6|H<1>}	112.4400	0.000	1	109.4407	9.955	3	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	111.2435	1.217	2	111.0150	0.897	3	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){3|C<4>,6|H<1>}	110.5580	0.000	1	111.0150	0.897	3	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	111.3430	0.000	1	111.3430	0.000	1	110.6165	3.363	10	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.3980	0.000	1	111.3980	0.000	1	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	110.7480	0.442	4	110.7498	2.316	12	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	111.9795	1.104	2	110.7498	2.316	12	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	110.2152	2.388	4	110.7498	2.316	12	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	110.5930	1.529	2	110.7498	2.316	12	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|O<1>,2|C<4>,5|H<1>}	110.7530	1.531	6	110.4944	1.627	14	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|O<1>,2|C<4>,5|H<1>}	110.5795	0.202	2	110.4944	1.627	14	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|O<1>,2|C<4>,5|H<1>}	110.2073	1.303	6	110.4944	1.627	14	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]N)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]N)(O){1|O<1>,2|C<4>,5|H<1>}	110.0755	0.740	6	110.0755	0.548	6	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]S)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]S)(O){1|O<1>,2|C<4>,5|H<1>}	110.5475	0.678	4	110.5475	0.460	4	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	108.5180	1.119	2	108.5180	1.251	2	110.4358	1.641	39	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]S)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(S)	C[5,6](C[6]C[6]HH)2(C[5]N[5]S)(N[5]C[5]H){1|C<4>,1|S<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(S){1|S<1>,2|C<4>,5|H<1>}	111.1790	1.544	2	111.1790	2.385	2	111.1790	2.385	2	110.4423	3.088	63	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	112.2885	0.647	2	112.2885	0.419	2	112.2885	0.419	2	112.2885	0.419	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O){1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|O<1>,2|C<4>,6|H<1>}	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	112.6720	6.661	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H)	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H){1|S<1>,2|C<3>,3|C<4>,4|H<1>}	113.0545	3.528	2	113.0545	12.445	2	113.0545	12.445	2	112.6720	6.661	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	111.4993	13.634	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	113.5520	1.410	2	113.5520	1.988	2	113.5520	1.988	2	111.4993	13.634	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.9405	0.319	2	110.9405	0.102	2	110.9405	0.102	2	110.9405	0.102	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,7|H<1>}	111.1020	0.368	2	111.1020	0.135	2	110.7810	1.218	5	110.4127	1.341	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	109.8755	1.235	2	109.8755	1.526	2	110.7810	1.218	5	110.4127	1.341	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	111.9500	0.000	1	111.9500	0.000	1	110.7810	1.218	5	110.4127	1.341	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH){1|S<4>,2|C<4>,6|H<1>}	109.4920	0.894	2	109.4920	0.799	2	109.4920	0.799	2	110.4127	1.341	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O){1|O<2>,3|C<4>,3|H<1>}	109.9805	0.272	2	109.9805	0.074	2	109.9805	0.074	2	108.3068	2.370	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:2:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.1910	0.185	3	107.1910	0.034	3	107.1910	0.034	3	108.3068	2.370	5	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.5520	0.000	1	110.5520	0.000	1	111.1635	0.748	2	111.1635	0.748	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7750	0.000	1	111.7750	0.000	1	111.1635	0.748	2	111.1635	0.748	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.7890	1.078	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	112.9060	0.000	1	112.9060	0.000	1	111.8800	2.105	2	111.7890	1.078	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.8540	0.000	1	110.8540	0.000	1	111.8800	2.105	2	111.7890	1.078	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O){2|H<1>,2|O<2>,4|C<4>}	104.5930	0.000	1	104.5930	0.000	1	104.5930	0.000	1	104.5930	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:2:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.5205	5.089	2	112.5205	25.898	2	112.5205	25.898	2	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,9|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	112.0993	2.263	6	112.0993	5.123	6	111.1180	5.156	22	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.6700	2.400	4	110.6700	5.760	4	111.1180	5.156	22	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.9472	2.414	8	110.7766	5.219	12	111.1180	5.156	22	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.4352	2.305	4	110.7766	5.219	12	111.1180	5.156	22	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.9095	4.740	2	110.9600	6.526	6	110.9600	6.526	6	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,3|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.9852	1.840	4	110.9600	6.526	6	110.9600	6.526	6	111.1799	5.889	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.6660	0.000	1	111.6570	0.046	3	111.6570	0.046	3	111.6570	0.046	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.6525	0.302	2	111.6570	0.046	3	111.6570	0.046	3	111.6570	0.046	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	109.4440	0.493	3	109.4440	0.243	3	109.4440	0.243	3	113.5519	17.293	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.5519	17.293	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>,3|H<1>}	118.2880	0.000	1	117.7023	0.478	3	117.7023	0.478	3	113.5519	17.293	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>,3|H<1>}	117.4095	0.664	2	117.7023	0.478	3	117.7023	0.478	3	113.5519	17.293	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:2:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.7810	0.000	2	112.7810	0.000	2	112.7810	0.000	2	112.7810	0.000	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:2:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,3|H<1>}	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){3|H<1>,4|C<4>}	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	115.1138	15.684	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){1|O<2>,3|C<4>,3|H<1>}	117.9193	1.604	6	117.9193	2.571	6	117.9193	2.571	6	115.1138	15.684	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	115.1138	15.684	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	113.2700	0.000	1	113.2700	0.000	1	113.2700	0.000	1	115.1138	15.684	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	115.1138	15.684	10	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:2:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:2:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:4:3:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,5,6]H)(O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,5,6]H)(O){1|H<1>,3|C<3>,3|C<4>}	117.7250	0.000	1	117.7250	0.000	1	117.7250	0.000	1	117.7250	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|Br<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,3|H<1>,4|C<3>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	3:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	3:4:2:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	3:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	106.8195	0.538	2	106.8195	0.290	2	106.8195	0.290	2	106.8195	0.290	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	3:4:2:2:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.5795	0.302	2	108.5795	0.091	2	108.5795	0.091	2	108.5795	0.091	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:2:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,4|H<1>}	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	120.8290	0.629	4	120.8290	0.395	4	120.3913	1.052	6	120.3913	1.052	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,5|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.3913	1.052	6	120.3913	1.052	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,1|C<4>,5|H<1>}	118.5740	0.000	1	118.5740	0.000	1	120.3913	1.052	6	120.3913	1.052	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	118.8580	0.000	1	118.8580	0.000	1	118.8580	0.000	1	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.9750	0.313	4	113.9750	0.098	4	113.9750	0.098	4	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	106.4980	0.000	1	106.4980	0.000	1	112.8590	26.146	7	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	107.9720	0.000	1	107.9720	0.000	1	112.8590	26.146	7	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<3>,2|C<4>,3|H<1>}	117.8435	0.715	2	117.8435	0.511	2	112.8590	26.146	7	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	116.2970	0.000	1	115.9150	0.292	2	112.8590	26.146	7	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	115.5330	0.000	1	115.9150	0.292	2	112.8590	26.146	7	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	108.0260	0.000	1	108.0260	0.000	1	112.8590	26.146	7	113.7309	17.183	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:2:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.9090	0.000	1	104.9090	0.000	1	106.3450	1.547	3	106.3450	1.547	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:2:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.0630	0.027	2	107.0630	0.001	2	106.3450	1.547	3	106.3450	1.547	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:2:1:	4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Cr<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	111.1310	0.000	1	107.0203	7.630	4	107.0203	7.630	4	107.0203	7.630	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:2:1:	4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Mo<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	105.6540	0.598	2	107.0203	7.630	4	107.0203	7.630	4	107.0203	7.630	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:2:1:	4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|O<2>,1|W<6>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	105.6420	0.000	1	107.0203	7.630	4	107.0203	7.630	4	107.0203	7.630	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:3:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:3:1:	4:3:4:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:4:1:	4:3:1:	C[3x5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O){1|C<3>,1|H<1>,4|C<4>}	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.4680	0.000	1	112.6322	20.231	6	112.6322	20.231	6	112.6322	20.231	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.9120	0.047	3	112.6322	20.231	6	112.6322	20.231	6	112.6322	20.231	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.2945	5.841	2	112.6322	20.231	6	112.6322	20.231	6	112.6322	20.231	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,4x6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,4x6]C[6]C)(O[5]C[5,3x6])(O)	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,4x6]C[6]C)(O[5]C[5,3x6])(O){1|O<2>,2|H<1>,4|C<4>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	115.5300	0.000	1	115.5300	0.000	1	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	117.0500	0.000	1	116.3168	2.974	9	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	116.8420	1.784	3	116.3168	2.974	9	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	115.3978	1.899	4	116.3168	2.974	9	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	117.6840	0.000	1	116.3168	2.974	9	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	117.9645	0.115	2	114.4413	8.124	6	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	112.6797	1.059	4	114.4413	8.124	6	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	111.5555	1.071	2	109.8150	9.662	3	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	106.3340	0.000	1	109.8150	9.662	3	114.6565	9.995	19	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O){3|C<4>,4|H<1>}	105.9215	1.176	2	105.9215	1.383	2	107.5213	5.005	11	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O){1|O<2>,3|C<4>,3|H<1>}	106.2590	0.000	1	106.2590	0.000	1	107.5213	5.005	11	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,3|C<4>,3|H<1>}	107.7790	0.330	2	107.7790	0.109	2	107.5213	5.005	11	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	110.2440	0.000	1	110.2440	0.000	1	107.5213	5.005	11	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){2|C<4>,5|H<1>}	107.8970	3.350	4	107.8970	11.220	4	107.5213	5.005	11	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){2|C<4>,5|H<1>}	107.2420	0.000	1	107.2420	0.000	1	107.5213	5.005	11	111.8844	20.241	31	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	120.1690	0.102	2	120.1690	0.010	2	120.1690	0.010	2	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br){2|C<4>,5|H<1>}	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Cl-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl){2|C<4>,5|H<1>}	118.4403	0.245	7	118.4403	0.060	7	118.4403	0.060	7	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	108.1070	0.000	1	108.1070	0.000	1	108.4535	0.240	2	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	108.8000	0.000	1	108.8000	0.000	1	108.4535	0.240	2	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:I-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|I<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I){2|C<4>,5|H<1>}	117.7905	0.934	2	117.7905	0.873	2	117.7905	0.873	2	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	119.8050	0.000	1	119.8050	0.000	1	116.5781	6.502	14	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	116.9043	0.877	8	116.9886	0.513	12	116.5781	6.502	14	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	117.1573	0.173	4	116.9886	0.513	12	116.5781	6.502	14	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	108.4260	0.000	1	108.4260	0.000	1	116.5781	6.502	14	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){2|C<3>,2|C<4>,5|H<1>}	114.2380	0.000	1	114.2380	0.000	1	116.7695	12.817	2	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	119.3010	0.000	1	119.3010	0.000	1	116.7695	12.817	2	116.9173	10.070	30	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS){2|C<4>,5|H<1>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN){3|H<1>,4|C<4>}	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){3|C<4>,4|H<1>}	117.7290	0.000	1	117.7290	0.000	1	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	119.7733	1.218	3	119.7733	1.483	3	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl){2|C<4>,5|H<1>}	119.4435	1.067	2	119.4435	1.139	2	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO){2|C<4>,5|H<1>}	118.8410	0.000	1	118.8410	0.000	1	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){2|C<4>,5|H<1>}	118.6660	0.750	2	118.6660	0.562	2	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	119.3120	0.000	1	119.0015	0.193	2	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	118.6910	0.000	1	119.0015	0.193	2	119.1011	0.880	11	118.6947	2.781	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O){2|O<2>,4|C<4>,4|H<1>}	115.2310	0.000	1	115.2310	0.000	1	116.4355	2.902	2	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,7|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	117.6400	0.000	1	117.6400	0.000	1	116.4355	2.902	2	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	117.5005	0.128	2	117.5005	0.016	2	117.5005	0.016	2	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	115.2075	0.593	2	115.2075	0.352	2	115.1488	0.289	4	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	114.5900	0.000	1	115.0900	0.500	2	115.1488	0.289	4	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	115.5900	0.000	1	115.0900	0.500	2	115.1488	0.289	4	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|O<2>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|B<3>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|B<3>,2|C<4>,4|H<1>}	103.6940	0.000	1	103.6940	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O){3|C<4>,4|H<1>}	106.2260	0.000	1	105.2235	2.010	2	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O){3|C<4>,4|H<1>}	104.2210	0.000	1	105.2235	2.010	2	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]BrH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|Br<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]BrH)(O){3|C<4>,4|H<1>}	105.1530	0.000	1	105.1530	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O){3|C<4>,4|H<1>}	105.9890	0.450	2	105.9890	0.202	2	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){3|C<4>,4|H<1>}	106.7357	0.543	4	106.7357	0.295	4	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	107.4010	0.000	1	107.4010	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.4030	0.000	1	116.4030	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	116.0320	0.000	1	116.9447	0.633	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	117.4910	0.000	1	116.9447	0.633	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	117.3110	0.000	1	116.9447	0.633	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.6180	0.000	1	116.6180	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	106.4830	0.000	1	106.4830	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	114.3370	0.202	2	114.3370	0.041	2	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	114.6560	0.000	1	115.1267	0.183	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	115.2320	0.000	1	115.1267	0.183	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	115.4920	0.000	1	115.1267	0.183	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.8900	0.000	1	116.8900	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){2|C<4>,5|H<1>}	116.9410	0.000	1	116.9410	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	116.9735	0.203	2	116.9735	0.041	2	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<4>,5|H<1>}	116.8430	0.174	2	116.8430	0.030	2	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	117.0180	0.000	1	116.6961	1.068	101	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.2643	0.294	3	116.6961	1.068	101	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	115.1160	0.000	1	116.6961	1.068	101	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	116.8920	0.000	1	116.6961	1.068	101	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.8052	0.791	22	116.6961	1.068	101	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.6955	1.118	73	116.6961	1.068	101	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|F<1>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	116.1720	0.000	1	116.1720	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	115.7060	0.000	1	116.4467	0.416	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	116.7530	0.000	1	116.4467	0.416	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	116.8810	0.000	1	116.4467	0.416	3	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	111.0463	3.667	3	108.3583	10.985	7	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	106.5067	0.617	3	108.3583	10.985	7	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	105.8490	0.000	1	108.3583	10.985	7	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	114.8570	0.000	1	114.8570	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	116.9360	0.000	1	116.9360	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O){1|O<2>,2|C<4>,2|H<1>}	105.8380	0.000	1	105.8380	0.000	1	115.2407	13.277	143	115.2841	12.680	151	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC){2|C<4>,5|H<1>}	115.8960	0.000	1	115.8960	0.000	1	115.8960	0.000	1	110.3320	13.404	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN){3|C<4>,4|H<1>}	108.3449	0.373	8	108.3449	0.139	8	109.8262	11.367	11	110.3320	13.404	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO){2|C<4>,5|H<1>}	113.7763	4.916	3	113.7763	24.167	3	109.8262	11.367	11	110.3320	13.404	12	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	108.0027	0.377	3	108.0027	0.142	3	113.5362	26.860	12	113.8362	25.791	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH){2|C<3>,2|C<4>,3|H<1>}	107.7845	2.845	2	107.7845	8.092	2	113.5362	26.860	12	113.8362	25.791	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){2|C<4>,5|H<1>}	118.2060	0.835	5	118.2060	0.697	5	113.5362	26.860	12	113.8362	25.791	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H){2|C<4>,5|H<1>}	117.6350	0.000	1	117.6350	0.000	1	113.5362	26.860	12	113.8362	25.791	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH){2|C<4>,5|H<1>}	114.1930	0.000	1	114.1930	0.000	1	113.5362	26.860	12	113.8362	25.791	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NCuC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NCuC){2|C<4>,5|H<1>}	117.4350	0.000	1	117.4350	0.000	1	117.4350	0.000	1	113.8362	25.791	13	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|H<1>,4|C<4>}	105.1970	0.000	1	105.1970	0.000	1	105.3970	1.191	4	108.2122	19.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|H<1>,4|C<4>}	105.4637	1.326	3	105.4637	1.759	3	105.3970	1.191	4	108.2122	19.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[3,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|O<2>,3|C<4>,3|H<1>}	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	108.2122	19.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){2|H<1>,2|O<2>,3|C<4>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	108.2122	19.735	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|O<2>,2|C<4>,4|H<1>}	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	115.1420	0.000	1	115.1080	0.002	2	111.4493	40.159	3	111.4493	40.159	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	115.0740	0.000	1	115.1080	0.002	2	111.4493	40.159	3	111.4493	40.159	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,2|O<2>,3|H<1>}	104.1320	0.000	1	104.1320	0.000	1	111.4493	40.159	3	111.4493	40.159	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){1|O<2>,2|C<4>,4|H<1>}	117.2705	1.439	2	117.2705	2.071	2	117.2705	2.071	2	117.2705	2.071	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	110.3945	5.845	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	110.3945	5.845	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|C<3>,1|H<1>,3|C<4>}	103.8080	0.000	1	106.8285	18.247	2	106.8285	18.247	2	106.8285	18.247	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|H<1>,2|C<3>,2|C<4>}	109.8490	0.000	1	106.8285	18.247	2	106.8285	18.247	2	106.8285	18.247	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:4:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(O){1|O<2>,2|H<1>,4|C<4>}	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	107.0865	0.224	2	107.0865	0.050	2	107.0865	0.050	2	107.0865	0.050	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	106.9260	0.000	1	106.9260	0.000	1	106.8543	0.362	3	106.8543	0.362	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	106.8185	0.846	2	106.8185	0.716	2	106.8543	0.362	3	106.8543	0.362	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CS)(O)	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CS)(O){1|O<2>,1|S<2>,2|C<3>,6|H<1>}	105.4770	0.204	2	105.4770	0.041	2	105.4770	0.041	2	105.4770	0.041	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	102.5620	0.000	1	102.5620	0.000	1	102.5620	0.000	1	104.8070	10.080	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O){1|N<3>,2|C<4>,7|H<1>}	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	104.8070	10.080	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){1|C<3>,4|C<4>,5|H<1>}	105.5820	0.000	1	107.9770	11.472	2	107.9770	11.472	2	107.2197	2.806	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){1|C<3>,4|C<4>,5|H<1>}	110.3720	0.000	1	107.9770	11.472	2	107.9770	11.472	2	107.2197	2.806	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	106.8740	0.000	1	106.8740	0.000	1	106.8063	0.411	3	107.2197	2.806	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	106.7725	0.903	2	106.7725	0.815	2	106.8063	0.411	3	107.2197	2.806	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,1|N<3>,8|H<1>}	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	107.2197	2.806	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|N<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN){1|C<3>,1|C<4>,8|H<1>}	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|N<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2){1|C<3>,1|N<3>,1|S<4>,6|H<1>}	110.8963	0.222	3	110.8963	0.049	3	110.8963	0.049	3	112.8733	5.729	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2){1|C<3>,1|N<3>,1|S<4>,6|H<1>}	114.8503	1.596	3	114.8503	2.548	3	114.8503	2.548	3	112.8733	5.729	6	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:4:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CS)(O)	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CS)(O){1|O<2>,1|S<2>,2|C<3>,6|H<1>}	108.2875	0.353	2	108.2875	0.125	2	108.2875	0.125	2	108.2875	0.125	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:4:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	110.5629	1.358	7	110.5629	1.845	7	110.5629	1.845	7	110.5629	1.845	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:3:1:	4:2:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(O){2|C<4>,3|C<3>,5|H<1>}	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	111.7090	3.277	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:2:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,5|H<1>}	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	111.7090	3.277	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:S[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H){6|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	112.6250	1.426	2	112.6250	2.032	2	112.6250	2.032	2	112.6250	2.032	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,7|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.8560	0.204	2	112.8560	0.204	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,7|H<1>}	113.1750	0.000	1	113.1750	0.000	1	112.8560	0.204	2	112.8560	0.204	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:4:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(O){2|C<4>,3|C<3>,5|H<1>}	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	111.4650	13.530	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|O<2>,3|C<4>,6|H<1>}	114.1380	0.000	1	114.1380	0.000	1	110.7040	23.585	2	111.4650	13.530	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|O<2>,3|C<4>,6|H<1>}	107.2700	0.000	1	107.2700	0.000	1	110.7040	23.585	2	111.4650	13.530	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(N[5]C[6a]C[5])(O){1|C<3>,1|N<2>,1|O<1>,4|C<4>,4|H<1>}	109.7805	3.711	4	109.7805	13.771	4	109.7805	13.771	4	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(Br)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(Br){1|C<3>,2|C<4>,6|H<1>}	111.4165	1.481	2	111.4165	2.195	2	111.4165	2.195	2	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){3|C<4>,7|H<1>}	111.8760	3.497	2	111.8760	12.231	2	111.8760	12.231	2	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	108.6560	0.645	4	108.6560	0.416	4	108.6560	0.416	4	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<4>,7|H<1>}	110.5890	0.000	1	110.5890	0.000	1	109.4716	2.321	5	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]N)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]N)(O){1|O<1>,2|C<4>,6|H<1>}	109.2910	2.701	2	109.2910	7.296	2	109.4716	2.321	5	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O){2|C<3>,4|C<4>,6|H<1>}	109.0935	0.623	2	109.0935	0.388	2	109.4716	2.321	5	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(S)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(S){2|C<3>,4|C<4>,6|H<1>}	109.9460	3.086	2	109.9460	9.522	2	109.9460	9.522	2	109.9510	4.885	21	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:As-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(AsC)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(AsC){2|C<3>,4|C<4>,6|H<1>}	111.9000	3.886	4	111.9000	15.104	4	111.9000	15.104	4	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC){2|C<3>,5|C<4>,5|H<1>}	107.5490	0.432	4	107.5490	0.187	4	107.5490	0.187	4	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Ge-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5]){2|C<3>,4|C<4>,6|H<1>}	110.7752	1.629	4	110.7752	2.654	4	110.9753	1.731	6	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Ge-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeN)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeN){2|C<3>,4|C<4>,6|H<1>}	111.3755	0.460	2	111.3755	0.212	2	110.9753	1.731	6	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:P-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC){2|C<3>,4|C<4>,6|H<1>}	111.7965	3.722	4	111.7965	13.851	4	111.7935	8.887	8	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:P-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]){2|C<3>,4|C<4>,6|H<1>}	112.0250	4.456	2	112.0250	19.858	2	111.7935	8.887	8	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:P-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PP[4])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PP[4]){2|C<3>,4|C<4>,6|H<1>}	111.5560	0.761	2	111.5560	0.579	2	111.7935	8.887	8	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Si-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiC[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiC[5]){2|C<3>,4|C<4>,6|H<1>}	111.1145	1.969	4	111.1145	3.875	4	111.1145	3.875	4	110.8636	7.354	26	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC){3|C<4>,7|H<1>}	106.4230	0.385	2	106.4230	0.148	2	106.4230	0.148	2	110.9431	8.856	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(COO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(COO){2|C<3>,5|C<4>,5|H<1>}	108.5040	0.000	1	108.5040	0.000	1	111.5625	4.427	14	110.9431	8.856	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH){3|C<4>,7|H<1>}	112.8010	0.000	1	112.8010	0.000	1	111.5625	4.427	14	110.9431	8.856	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CCO)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CCO){2|C<3>,4|C<4>,6|H<1>}	112.2470	0.055	2	112.2470	0.003	2	111.5625	4.427	14	110.9431	8.856	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O){2|C<3>,4|C<4>,6|H<1>}	111.6076	2.254	10	111.6076	5.079	10	111.5625	4.427	14	110.9431	8.856	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:P-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]H){2|C<3>,4|C<4>,6|H<1>}	111.1275	6.823	2	111.1275	46.552	2	111.1275	46.552	2	110.9431	8.856	18	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Ga-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,5|C<4>,5|H<1>}	109.4230	0.000	1	109.4230	0.000	1	109.8847	9.404	3	110.8200	8.094	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Ga-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,4|C<4>,6|H<1>}	110.1155	4.300	2	110.1155	18.489	2	109.8847	9.404	3	110.8200	8.094	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Si-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2P)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2P){2|C<3>,4|C<4>,6|H<1>}	111.1055	4.791	2	111.1055	22.950	2	111.5215	8.387	4	110.8200	8.094	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Si-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2Si)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2Si){2|C<3>,4|C<4>,6|H<1>}	111.9375	1.232	2	111.9375	1.519	2	111.5215	8.387	4	110.8200	8.094	7	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){1|C<3>,4|C<4>,5|H<1>}	111.8420	0.000	1	110.5302	5.292	4	107.9598	19.126	6	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){1|C<3>,4|C<4>,5|H<1>}	107.0840	0.000	1	110.5302	5.292	4	107.9598	19.126	6	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){5|C<4>,5|H<1>}	111.5975	0.021	2	110.5302	5.292	4	107.9598	19.126	6	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(O){5|C<4>,5|H<1>}	102.8190	0.684	2	102.8190	0.469	2	107.9598	19.126	6	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){1|O<2>,4|C<4>,5|H<1>}	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,7|H<1>}	106.4910	1.773	2	106.4910	3.145	2	109.6981	7.720	8	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,1|N<3>,8|H<1>}	112.2580	0.000	1	112.2580	0.000	1	109.6981	7.720	8	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	108.8045	0.136	2	108.8045	0.019	2	109.6981	7.720	8	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){2|C<4>,8|H<1>}	113.7070	0.000	1	113.7070	0.000	1	109.6981	7.720	8	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){2|C<4>,8|H<1>}	108.9730	0.000	1	110.5145	4.752	2	109.6981	7.720	8	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,7|H<1>}	112.0560	0.000	1	110.5145	4.752	2	109.6981	7.720	8	109.1045	11.774	15	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN){1|C<3>,1|C<4>,8|H<1>}	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,5|C<4>,7|H<1>}	105.6430	0.000	1	105.6430	0.000	1	105.6430	0.000	1	111.1587	6.798	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	111.9467	1.462	7	111.9467	2.137	7	111.9467	2.137	7	111.1587	6.798	8	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]O)(O)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]O)(O){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	110.4997	20.292	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	110.4997	20.292	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<4>,7|H<1>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	110.4997	20.292	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){1|O<2>,4|C<4>,5|H<1>}	106.6915	0.411	2	106.6915	0.169	2	106.6915	0.169	2	107.1607	0.745	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	107.1607	0.745	3	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	112.4440	0.382	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O){1|N<3>,2|C<4>,7|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.4440	0.382	2	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC){2|C<3>,5|C<4>,5|H<1>}	116.8430	0.188	4	116.8430	0.035	4	116.8430	0.035	4	116.8430	0.035	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC){3|C<4>,7|H<1>}	113.2750	0.386	2	113.2750	0.149	2	113.2750	0.149	2	113.6495	7.483	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(COO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(COO){2|C<3>,5|C<4>,5|H<1>}	117.3210	0.000	1	117.3210	0.000	1	114.0240	21.740	2	113.6495	7.483	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH){3|C<4>,7|H<1>}	110.7270	0.000	1	110.7270	0.000	1	114.0240	21.740	2	113.6495	7.483	4	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:Ga-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,5|C<4>,5|H<1>}	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	112.0645	14.950	2092	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[3x6]	C[5]	4:4:3:2:	4:4:4:4:	4:2:1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O)	C[5](C[5]C[3x6]C[5]O)(O[5]C[5])(O)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[3x6]C[5]O)(O[5]C[5])(O){1|O<2>,3|C<4>,3|H<1>}	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6,6]	C[5]	4:4:3:1:	3:4:4:4:	4:3:1:	C[6,6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH)	C[5](C[5]C[6,6]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6,6]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5,6]	3:4:2:1:	4:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:2:4:4:	4:4:3:1:	3:4:1:	C[5]-3:O[5]-2:C[6]-4:C-4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	107.5920	0.983	2	107.5920	0.966	2	107.5920	0.966	2	107.5920	0.966	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:3:4:	4:4:3:1:	3:4:1:	C[5]-3:N[5]-3:C[6a]-3:C[6]-4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	113.0213	0.884	3	113.0213	0.781	3	113.0213	0.781	3	113.0213	0.781	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	115.1665	0.554	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	115.1665	0.554	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:1:	4:4:4:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	113.6300	0.000	1	113.6300	0.000	1	113.6300	0.000	1	114.2120	0.677	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:1:	4:4:4:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	114.2120	0.677	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:2:	4:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:2:	4:4:4:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:3:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	106.6250	0.138	3	106.6250	0.019	3	106.6238	0.016	5	106.6238	0.016	5	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:3:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	106.6220	0.161	2	106.6220	0.026	2	106.6238	0.016	5	106.6238	0.016	5	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:3:4:3:	4:4:4:1:	4:2:1:	C[5,6a]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O)	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5](C[5]C[5,6a]C[6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]C[6])(O[5]C[5,6a])(O){1|H<1>,2|C<4>,4|C<3>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:F-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	111.5096	5.888	5	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	112.5288	0.962	4	112.5288	0.926	4	112.5288	0.926	4	111.5096	5.888	5	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:4:4:1:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	113.6130	0.643	2	113.6130	0.414	2	113.6130	0.414	2	113.6615	5.825	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:4:4:1:	4:3:4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	116.3595	0.279	2	116.3595	0.078	2	116.3595	0.078	2	113.6615	5.825	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:4:4:1:	4:3:4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	111.0120	0.170	2	111.0120	0.029	2	111.0120	0.029	2	113.6615	5.825	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:4:4:2:	4:3:1:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H){4|C<4>,7|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<4>}	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:4:4:2:	4:4:3:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H){4|C<4>,7|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi){2|C<3>,2|C<4>,5|H<1>}	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	118.3910	0.000	1	118.3910	0.000	1	118.3910	0.000	1	118.3910	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(C[6]C[6]HH)2	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H){1|Fe<10>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(C[6]C[6]HH)2{3|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H){2|C<3>,3|C<4>}	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:2:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	108.3605	0.602	2	108.3605	0.362	2	108.3605	0.362	2	108.3605	0.362	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:2:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-3:O[6]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>}	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	106.9100	0.000	1	106.9100	0.000	1	109.3310	4.428	3	109.3310	4.428	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	110.5415	0.252	2	110.5415	0.064	2	109.3310	4.428	3	109.3310	4.428	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-3:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC){1|S<2>,3|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:3:	4:3:4:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N-3:	C[5]-4:C[6]-3:C[6]-4:N-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH)	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN)	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:3:	4:4:4:1:	4:4:3:	B[5]-3:C[6]-4:C[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	P[5]-4:C[5]-4:C-3:	C[5](B[5]C[6]N[5])(C[6]C[6]2H)(C[5]P[5]C)(COO)	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]C[6]C)(COO)	C[5](B[5]C[6]N[5])(C[6]C[6]2H)(C[5]P[5]C)(COO){3|C<3>,4|C<4>,5|H<1>}	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]C[6]C)(COO){1|H<1>,3|C<4>,5|C<3>}	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:4:	3:3:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:4:	3:4:3:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:3:4:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.1850	1.616	3	112.1850	2.612	3	112.1850	2.612	3	112.1850	2.612	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:4:3:	4:2:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H)	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O){1|S<2>,2|H<1>,5|C<3>}	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H){2|C<3>,5|C<4>,9|H<1>}	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H){2|C<3>,3|H<1>,6|C<4>}	110.3360	2.185	2	110.3360	4.774	2	110.3360	4.774	2	110.3360	4.774	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:2:3:1:	3:4:4:2:	4:3:1:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	113.0150	0.000	1	113.0150	0.000	1	112.7353	0.643	3	112.7353	0.643	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:2:3:1:	3:4:4:2:	4:3:1:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	112.5955	1.081	2	112.5955	1.169	2	112.7353	0.643	3	112.7353	0.643	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:2:3:1:	4:3:2:4:	4:3:1:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	111.0415	0.136	2	111.0415	0.019	2	111.0415	0.019	2	111.0415	0.019	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	114.5470	6.902	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	111.9570	0.000	1	111.9570	0.000	1	114.5835	13.797	2	114.5470	6.902	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	117.2100	0.000	1	117.2100	0.000	1	114.5835	13.797	2	114.5470	6.902	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	3:4:3:1:	4:3:4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:2:4:3:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:2:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:3:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.1755	2.665	2	117.1755	7.103	2	115.9970	7.718	3	115.9970	7.718	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:3:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.6400	0.000	1	113.6400	0.000	1	115.9970	7.718	3	115.9970	7.718	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:3:1:	4:3:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH)	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.8170	0.000	1	113.8170	0.000	1	113.8170	0.000	1	113.8170	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:4:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:4:2:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:Br-1:	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br)	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br){1|O<1>,1|O<2>,2|C<4>}	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	116.7625	1.673	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:4:2:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<4>}	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	116.7625	1.673	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:1:	4:4:4:4:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:2:	3:4:4:1:	3:4:1:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O){1|C<4>,2|H<1>,3|C<3>}	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:4:	3:4:3:1:	4:2:1:	C[6]-4:C[5]-3:N[5]-2:C-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	111.6477	0.951	3	111.6477	0.905	3	111.6477	0.905	3	111.6477	0.905	3	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:4:	3:4:3:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	112.1205	0.018	2	112.1205	0.000	2	112.1205	0.000	2	112.1205	0.000	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:4:	4:2:4:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:O[6]-2:C[6]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.0585	0.982	4	111.0585	0.964	4	111.0585	0.964	4	111.0585	0.964	4	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:2:4:	4:4:4:1:	4:3:1:	C[6]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:1:	3:3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|O<1>,2|H<1>,4|C<3>}	114.0260	1.148	2	114.0260	1.319	2	114.0260	1.319	2	114.0260	1.319	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.0940	0.000	1	113.1210	0.001	2	113.1210	0.001	2	113.1210	0.001	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.1480	0.000	1	113.1210	0.001	2	113.1210	0.001	2	113.1210	0.001	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:1:	3:4:4:4:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H)	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2{1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|N<2>,1|O<1>,2|C<3>,3|C<4>}	117.6195	2.009	2	117.6195	4.036	2	117.6195	4.036	2	117.6195	4.036	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]N[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[6]N[5]H)(N[5]C[6a]C[5])(O){2|C<3>,3|C<4>,3|H<1>}	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:4:	4:4:2:1:	4:2:3:	C[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:3:4:	4:4:2:1:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:	C[6]-4:C[5]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H)	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O){1|O<2>,2|H<1>,6|C<4>}	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:3:4:2:	3:4:3:1:	4:2:1:	C[6]-4:C[5]-3:C-4:O[5]-2:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[5](C[5]C[6]O[5]C)(N[5]C[5])(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6]O[5]C)(N[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	111.0290	0.000	1	111.0290	0.000	1	111.0290	0.000	1	111.0290	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,3|H<1>,4|C<3>}	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:4:3:4:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O)	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:2:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(O[5]C[5])(O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.7935	0.241	2	110.7935	0.058	2	110.7935	0.058	2	110.7935	0.058	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O)	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,3|H<1>}	114.0330	0.000	1	114.0330	0.000	1	112.5990	4.113	2	112.5990	4.113	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|O<1>,2|O<2>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,3|H<1>}	111.1650	0.000	1	111.1650	0.000	1	112.5990	4.113	2	112.5990	4.113	2	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:2:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	C[5](C[5]C[5]C[6]H)(N[5]C[5]H)(O)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]H)(O){2|C<4>,2|O<2>,3|H<1>}	112.0750	0.000	1	112.0750	0.000	1	112.0750	0.000	1	112.0750	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:3:3:	4:4:3:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:C[5]-4:C-3:	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CC[5]Br)	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CC[5]Br){1|C<4>,2|C<3>,4|H<1>}	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(O)	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(O){3|H<1>,4|C<4>}	119.0990	0.000	2	119.0990	0.000	2	116.9143	2.952	6	116.9143	2.952	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(O){3|H<1>,4|C<4>}	115.8220	0.383	4	115.8220	0.147	4	116.9143	2.952	6	116.9143	2.952	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.8370	0.000	1	112.8370	0.000	1	116.2087	8.593	3	115.9792	9.670	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,3|C<4>,3|O<2>}	117.8945	0.367	2	117.8945	0.135	2	116.2087	8.593	3	115.9792	9.670	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.4930	0.539	2	113.4930	0.290	2	113.4930	0.290	2	115.9792	9.670	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>}	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	115.9792	9.670	6	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-1:	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O)	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O){2|O<2>,4|C<4>,4|H<1>}	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:2:	4:4:4:2:	4:3:4:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){4|C<3>,4|H<1>}	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	0:SP3_SP2_SP3	C[5]	C[6]	C[5]	4:4:3:3:	3:4:4:1:	3:4:1:	C[6]-4:C[5]-4:C[5]-3:C-3:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){1|C<4>,3|C<3>,4|H<1>}	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	112.8578	10.493	117	112.1526	15.297	3109
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5,6,6]	3:4:3:3:	4:4:4:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.6590	5.455	2	106.6590	29.753	2	106.6590	29.753	2	106.6590	29.753	2	106.6590	29.753	2	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:4:3:1:	4:3:3:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C[5,3x6]-4:Ge[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH)	C[3x6](C[5,3x6]Ge[5,3x6]C[5,6]C)(Ge[3x6]C[6,6]2C[6a])(C[6]C[6]H)(H)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH){2|C<4>,2|H<1>,6|C<3>}	C[3x6](C[5,3x6]Ge[5,3x6]C[5,6]C)(Ge[3x6]C[6,6]2C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	114.4923	2.557	3	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:2:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5])	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	115.2430	0.000	1	115.2430	0.000	1	115.2430	0.000	1	115.2430	0.000	1	114.4923	2.557	3	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	114.4923	2.557	3	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:3:3:4:	4:4:3:1:	4:4:2:	C[4x6]-4:C[5,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,3x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH)	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){2|C<4>,4|C<3>,5|H<1>}	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.3630	0.035	2	107.3630	0.001	2	107.3630	0.001	2	107.3630	0.001	2	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:4:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	109.8015	0.346	2	109.8015	0.120	2	109.8015	0.120	2	110.2890	0.477	6	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:4:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.8733	0.285	3	110.5327	0.518	4	110.5327	0.518	4	110.2890	0.477	6	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:4:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.5110	0.000	1	110.5327	0.518	4	110.5327	0.518	4	110.2890	0.477	6	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:2:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	108.6833	2.164	4	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:2:	4:4:3:4:	4:3:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	109.1400	0.000	1	109.6980	0.623	2	109.3333	0.710	3	108.6833	2.164	4	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:2:	4:4:3:4:	4:3:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	110.2560	0.000	1	109.6980	0.623	2	109.3333	0.710	3	108.6833	2.164	4	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:3:2:	4:4:3:4:	4:3:3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.6040	0.000	1	108.6040	0.000	1	109.3333	0.710	3	108.6833	2.164	4	109.1937	2.097	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[5x6]	C[5,6,6]	3:4:3:3:	4:3:3:3:	4:3:4:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){10|C<3>}	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:4:3:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a])	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a]){2|C<4>,2|H<1>,3|C<3>}	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:N[5]-2:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6,6]C[3x6]HH)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a])	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6,6]C[3x6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a]){2|C<3>,2|C<4>,8|H<1>}	107.7645	0.459	4	107.7645	0.211	4	107.7645	0.211	4	107.7645	0.211	4	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:2:	4:4:1:1:	4:2:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	111.0610	0.000	1	111.0610	0.000	1	110.9625	0.019	2	110.9625	0.019	2	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:2:	4:4:1:1:	4:2:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.8640	0.000	1	110.8640	0.000	1	110.9625	0.019	2	110.9625	0.019	2	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:2:	4:4:3:1:	4:2:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	106.5150	0.000	1	106.5150	0.000	1	105.5800	1.748	2	105.5800	1.748	2	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:2:	4:4:3:1:	4:2:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	104.6450	0.000	1	104.6450	0.000	1	105.5800	1.748	2	105.5800	1.748	2	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO){1|N<3>,4|C<4>,6|H<1>}	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	108.1497	1.397	3	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH){1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH){1|S<4>,2|C<4>,7|H<1>}	107.6790	1.211	2	107.6790	1.465	2	107.6790	1.465	2	108.1497	1.397	3	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:3:1:	4:3:4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO){1|N<3>,4|C<4>,6|H<1>}	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O)	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	109.4280	0.000	1	109.4280	0.000	1	110.9476	0.895	5	110.9476	0.895	5	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	111.3275	0.480	4	111.3275	0.231	4	110.9476	0.895	5	110.9476	0.895	5	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:3:	4:4:4:1:	4:4:3:	C[5,5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-3:	C[5,3x6]-4:C[6]-4:P[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O)	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO){2|C<3>,2|H<1>,2|O<2>,2|W<6>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O){1|C<3>,1|P<4>,1|W<6>,2|H<1>,3|C<4>}	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	109.0162	4.368	21	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	3:4:4:4:	4:4:4:2:	4:4:2:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[4x6]-4:N[5]-2:	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5])	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	110.6657	4.198	3	110.6657	17.623	3	110.6657	17.623	3	110.6657	17.623	3	110.6657	17.623	3	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:N[5]-2:	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5])	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|N<2>,1|O<2>,7|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	104.0217	3.183	3	104.0217	10.132	3	104.0217	10.132	3	104.0217	10.132	3	104.0217	10.132	3	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[3x6]	C[5,6]	4:4:3:3:	4:4:4:4:	4:4:3:	C[5,5,6]-4:C[3x6]-4:C[5,6]-3:C[5]-3:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O)	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6,6]	3:3:4:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	113.1105	0.385	2	113.2990	0.181	3	113.2990	0.181	3	113.2990	0.181	3	113.6725	0.710	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6,6]	3:3:4:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	113.6760	0.000	1	113.2990	0.181	3	113.2990	0.181	3	113.2990	0.181	3	113.6725	0.710	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:4:1:	4:4:3:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	114.6670	0.192	2	114.0460	1.175	3	114.0460	1.175	3	114.0460	1.175	3	113.6725	0.710	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:4:1:	4:4:3:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	112.8040	0.000	1	114.0460	1.175	3	114.0460	1.175	3	114.0460	1.175	3	113.6725	0.710	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	3:2:3:4:	4:3:1:1:	4:4:3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,6|H<1>}	112.7010	0.078	2	112.7010	0.006	2	112.7010	0.006	2	112.7010	0.006	2	113.9440	2.155	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	3:2:3:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	113.9440	2.155	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	113.9440	2.155	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	3:4:2:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,7|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	113.9440	2.155	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	3:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	114.2840	0.000	1	114.2840	0.000	1	114.2840	0.000	1	114.2840	0.000	1	113.9440	2.155	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:3:2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:O[6]-2:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6])	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5,6]	4:3:4:3:	4:3:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	108.7420	0.000	1	108.7045	0.003	2	108.7045	0.003	2	108.7045	0.003	2	108.7434	2.278	5	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5,6]	4:3:4:3:	4:3:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	108.6670	0.000	1	108.7045	0.003	2	108.7045	0.003	2	108.7045	0.003	2	108.7434	2.278	5	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5,6]	4:3:4:3:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	107.8590	0.000	1	107.5505	0.190	2	107.5505	0.190	2	107.5505	0.190	2	108.7434	2.278	5	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5,6]	4:3:4:3:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	107.2420	0.000	1	107.5505	0.190	2	107.5505	0.190	2	107.5505	0.190	2	108.7434	2.278	5	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5])	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	108.7434	2.278	5	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,5,6]	3:3:4:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-2:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<2>,2|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:3:4:2:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){2|Cl<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|N<3>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|S<4>,3|H<1>}	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:4:1:	4:4:3:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.0280	0.147	2	110.0280	0.147	2	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:4:1:	4:4:3:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	109.7570	0.000	1	109.7570	0.000	1	110.0280	0.147	2	110.0280	0.147	2	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:2:1:	4:4:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	104.5530	0.000	1	104.5530	0.000	1	104.5530	0.000	1	104.5530	0.000	1	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	104.0050	0.091	2	104.0050	0.008	2	104.0050	0.008	2	104.0050	0.008	2	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|N<3>,6|H<1>}	104.8895	0.829	2	104.8895	0.688	2	104.8895	0.688	2	104.8895	0.688	2	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,7|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,5|H<1>}	104.1777	0.399	3	104.1777	0.159	3	104.1777	0.159	3	104.1777	0.159	3	106.3726	6.599	15	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:1:	4:4:4:1:	3:4:4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	109.2594	6.308	8	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:2:2:	4:4:4:1:	4:4:2:	C[5,6,6]-3:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H)	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a])	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a]){1|N<3>,2|H<1>,3|C<3>,5|C<4>}	104.5480	0.000	1	104.5480	0.000	1	104.5480	0.000	1	104.5480	0.000	1	109.2594	6.308	8	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:4:2:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	110.3657	0.535	3	110.5590	0.460	6	110.5590	0.460	6	110.5590	0.460	6	109.2594	6.308	8	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:4:2:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	111.2395	0.281	2	110.5590	0.460	6	110.5590	0.460	6	110.5590	0.460	6	109.2594	6.308	8	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	3:4:4:2:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	109.7780	0.000	1	110.5590	0.460	6	110.5590	0.460	6	110.5590	0.460	6	109.2594	6.308	8	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:3:2:1:	4:4:4:1:	4:4:1:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(O)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(O){3|H<1>,4|C<4>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.2895	0.622	2	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:3:2:2:	4:4:3:1:	4:3:2:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5])	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	112.2895	0.622	2	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]S[5]H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]S[5]H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	113.1890	1.229	2	113.1890	1.510	2	113.1890	1.510	2	113.1890	1.510	2	108.0097	17.507	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	105.0290	0.447	2	105.0290	0.200	2	104.7767	0.291	3	105.4200	1.849	4	108.0097	17.507	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	104.2720	0.000	1	104.2720	0.000	1	104.7767	0.291	3	105.4200	1.849	4	108.0097	17.507	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	105.4200	1.849	4	108.0097	17.507	6	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:3:3:4:	4:4:4:1:	4:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H)	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H){2|N<3>,5|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	113.2435	1.220	2	113.2435	1.488	2	113.2435	1.488	2	113.2435	1.488	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:3:4:4:	4:4:4:2:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	107.2600	0.000	1	107.2600	0.000	1	106.9665	0.172	2	106.9665	0.172	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:3:4:4:	4:4:4:2:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	106.6730	0.000	1	106.6730	0.000	1	106.9665	0.172	2	106.9665	0.172	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:3:2:	4:4:4:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H){1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:3:3:	4:3:3:1:	4:4:3:	C[6,6a]-3:C[6,6]-4:C[5,6]-3:N[5]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:3:4:	4:4:4:1:	4:4:2:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:2:4:1:	4:3:2:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:N[5]-2:	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5])	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:2:	4:4:3:4:	4:3:2:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-3:O[6]-2:	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:2:	4:4:4:4:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,7|H<1>}	110.6250	0.000	1	110.2820	0.235	2	110.2820	0.235	2	110.2820	0.235	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	109.9390	0.000	1	110.2820	0.235	2	110.2820	0.235	2	110.2820	0.235	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H){3|C<4>,3|O<2>,4|H<1>}	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:2:2:	4:4:3:1:	4:4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:3:4:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:P[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(P[6]C[6a]2C[6])(C[5]C[6a]O[5])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(P[6]C[6a]2C[6])(C[5]C[6a]O[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	113.4780	0.000	1	113.4780	0.000	1	113.4780	0.000	1	113.4780	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:2:	4:4:2:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H){3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:3:	4:4:4:1:	4:4:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:3:2:1:	4:4:1:	C[5,6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:O-2:H-1:	C[3,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H)	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[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	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>}	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	110.7690	0.164	2	110.7690	0.027	2	110.7690	0.027	2	111.1300	2.260	4	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	111.1300	2.260	4	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	111.1300	2.260	4	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	112.2945	0.135	2	112.2945	0.018	2	112.2945	0.018	2	112.2945	0.018	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5a,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	113.3300	0.000	1	113.3300	0.000	1	113.3300	0.000	1	112.2712	0.376	5	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	112.0065	0.183	4	112.0065	0.034	4	112.0065	0.034	4	112.2712	0.376	5	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5]){2|C<3>,2|H<1>,5|C<4>}	117.6745	0.477	2	117.6745	0.228	2	117.6745	0.228	2	117.6745	0.228	2	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:2:	4:3:2:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	110.7651	9.617	37	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:3:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	105.6665	0.460	2	105.6665	0.212	2	105.6665	0.212	2	105.6665	0.212	2	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:3:4:1:	4:4:2:	C[5,6,6]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a])	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]){3|C<3>,4|C<4>,4|H<1>}	107.9980	0.192	2	107.9980	0.037	2	107.9980	0.037	2	107.9980	0.037	2	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:Cl-1:H-1:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:4:2:	C[5,6,6]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a])	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]){3|C<3>,4|C<4>,4|H<1>}	104.2205	0.050	2	104.2205	0.003	2	104.2205	0.003	2	105.6703	6.307	3	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a]){3|C<4>,3|H<1>,4|C<3>}	108.5700	0.000	1	108.5700	0.000	1	108.5700	0.000	1	105.6703	6.307	3	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:4:4:1:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a]){3|C<4>,3|H<1>,4|C<3>}	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:3:2:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:2:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	110.6210	0.311	2	110.6210	0.097	2	110.6210	0.097	2	110.6210	0.097	2	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	110.1455	0.231	2	110.1455	0.053	2	109.9767	0.112	3	109.9767	0.112	3	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	109.6390	0.000	1	109.6390	0.000	1	109.9767	0.112	3	109.9767	0.112	3	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[4,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:2:	4:4:1:1:	4:4:3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:C-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	109.4677	1.126	3	109.4677	1.269	3	109.4677	1.269	3	109.4677	1.269	3	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	108.0665	4.939	20	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:2:4:3:	4:4:1:1:	4:3:4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	112.7040	0.000	1	112.7040	0.000	1	112.7040	0.000	1	112.7040	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:2:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.3685	0.048	2	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:2:4:	4:4:1:1:	4:3:4:	C[5a,6]-3:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	112.3685	0.048	2	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	107.1773	0.250	3	107.1773	0.063	3	107.1773	0.063	3	107.1773	0.063	3	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:2:4:	4:4:4:1:	4:3:4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:2:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:2:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5])	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	104.5330	0.000	1	104.5330	0.000	1	104.5330	0.000	1	104.5330	0.000	1	110.3927	10.646	12	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[4x6]	C[5,6]	4:3:4:1:	4:4:3:3:	4:3:3:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:3:4:1:	4:4:3:3:	4:2:3:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:3:1:	4:4:3:1:	4:4:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	110.7585	1.682	2	110.7585	2.830	2	110.7585	2.830	2	110.7585	2.830	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:3:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:S[6]-2:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	109.0180	0.461	2	109.0180	0.213	2	109.0180	0.213	2	109.0180	0.213	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:3:4:	4:4:4:1:	4:2:4:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:3:	4:3:4:4:	4:3:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	104.1260	0.000	1	103.9263	0.062	3	103.9263	0.062	3	103.9263	0.062	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:3:	4:3:4:4:	4:3:3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	103.8265	0.254	2	103.9263	0.062	3	103.9263	0.062	3	103.9263	0.062	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:2:1:	4:4:2:1:	4:4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:2:1:	4:4:4:2:	4:3:3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|O<2>,2|C<4>,2|O<1>}	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:2:2:	4:4:2:1:	4:4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.0060	0.000	2	108.0060	0.000	2	108.0060	0.000	2	108.0060	0.000	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:1:	3:4:4:2:	4:4:3:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.3500	0.375	2	110.3500	0.140	2	110.3500	0.140	2	110.3500	0.140	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:2:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:3:3:	4:3:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	3:4:4:1:	4:4:2:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:3:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	109.7040	0.991	2	109.7040	0.983	2	109.7040	0.983	2	109.7040	0.983	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:3:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.8300	0.697	2	113.8300	0.486	2	113.8300	0.486	2	111.5153	16.316	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:3:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	111.5153	16.316	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,5|H<1>}	114.5130	0.000	1	114.5130	0.000	1	114.5130	0.000	1	114.5130	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|C<3>,2|C<4>,4|H<1>}	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){3|C<4>,4|H<1>}	111.3483	0.479	4	111.3483	0.229	4	111.4934	0.462	7	111.4934	0.462	7	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	110.6890	0.000	1	110.6890	0.000	1	111.4934	0.462	7	111.4934	0.462	7	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	112.1860	0.628	2	112.1860	0.394	2	111.4934	0.462	7	111.4934	0.462	7	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	114.0800	0.058	2	114.0800	0.003	2	114.0800	0.003	2	114.0800	0.003	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:3:4:	4:3:4:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:2:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5]){2|C<4>,5|H<1>}	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.3640	0.000	1	108.3640	0.000	1	108.7155	0.247	2	109.5050	1.993	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H){2|C<4>,7|H<1>}	109.0670	0.000	1	109.0670	0.000	1	108.7155	0.247	2	109.5050	1.993	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	109.5050	1.993	3	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:4:	4:3:4:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.2840	0.000	1	108.1290	0.048	2	108.1290	0.048	2	108.1290	0.048	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	107.9740	0.000	1	108.1290	0.048	2	108.1290	0.048	2	108.1290	0.048	2	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:2:	C[3,5]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3)	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	110.0151	7.770	44	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:1:	4:4:1:1:	3:4:4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	108.3740	0.485	2	108.3740	0.235	2	108.3740	0.235	2	108.6772	1.759	5	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	108.6772	1.759	5	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	108.6772	1.759	5	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.6772	1.759	5	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:3:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:3:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	104.4280	0.000	1	104.4280	0.000	1	104.4280	0.000	1	104.4280	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	107.2870	0.894	3	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	107.7980	0.470	2	107.7980	0.220	2	107.7980	0.220	2	107.2870	0.894	3	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-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)(OH)	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2){10|H<1>,1|O<1>,2|C<4>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:2:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	105.2170	0.783	2	105.2170	0.614	2	105.2170	0.614	2	105.2170	0.614	2	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:2:2:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){2|C<3>,3|O<2>,4|C<4>,6|H<1>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:3:1:1:	3:4:4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-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]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	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]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	104.8600	0.000	1	104.8600	0.000	1	104.8600	0.000	1	104.8600	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	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]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	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]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	104.8850	0.000	1	104.8850	0.000	1	104.8850	0.000	1	107.5503	5.391	3	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	109.1340	0.000	1	109.1340	0.000	1	108.8830	0.126	2	107.5503	5.391	3	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	108.6320	0.000	1	108.6320	0.000	1	108.8830	0.126	2	107.5503	5.391	3	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:2:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	107.4726	4.398	23	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:2:4:3:	4:4:4:1:	3:4:3:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:1:	4:2:4:	C[5,6a]-3:C[5a]-3:C[5,6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:4:1:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6]-2:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{9|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	106.7880	0.404	2	106.7880	0.164	2	106.7880	0.164	2	106.7880	0.164	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	109.5685	1.642	4	109.5685	2.697	4	109.5685	2.697	4	109.5685	2.697	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H){4|H<1>,5|C<3>}	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	102.7790	0.000	1	102.7790	0.000	1	102.7790	0.000	1	102.7790	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	111.8143	0.891	3	112.0095	0.577	6	112.0095	0.577	6	112.0095	0.577	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	112.2047	0.732	3	112.0095	0.577	6	112.0095	0.577	6	112.0095	0.577	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	108.8060	0.000	1	108.8060	0.000	1	108.8060	0.000	1	109.4980	1.506	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.2190	1.523	2	109.2190	2.320	2	109.7287	1.939	3	109.4980	1.506	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H){2|Br<1>,1|C<4>,1|S<4>,2|C<3>,4|H<1>}	110.7480	0.000	1	110.7480	0.000	1	109.7287	1.939	3	109.4980	1.506	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:2:1:	4:3:4:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:2:1:	4:4:3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.2385	1.194	4	108.2385	1.425	4	108.2385	1.425	4	108.2385	1.425	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:4:2:2:	4:3:4:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:C-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:2:	4:4:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:2:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2{1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a]){2|C<3>,2|C<4>,3|H<1>}	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:3:	4:4:1:1:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.8190	0.420	2	108.8190	0.176	2	108.8190	0.176	2	108.8190	0.176	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:3:3:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	107.5355	1.609	2	107.5355	2.588	2	107.5355	2.588	2	107.5355	2.588	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:3:4:4:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){2|C<4>,4|C<3>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	106.1510	0.000	1	106.1510	0.000	1	107.3742	1.033	4	107.3742	1.033	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	108.3400	0.000	1	108.3400	0.000	1	107.3742	1.033	4	107.3742	1.033	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	106.9390	0.000	1	106.9390	0.000	1	107.3742	1.033	4	107.3742	1.033	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	108.0670	0.000	1	108.0670	0.000	1	107.3742	1.033	4	107.3742	1.033	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.0680	0.089	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.9590	0.327	2	107.9590	0.107	2	107.9590	0.107	2	108.0680	0.089	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	106.6280	0.575	4	106.6280	0.331	4	107.2562	2.221	5	107.2562	2.221	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	109.7690	0.000	1	109.7690	0.000	1	107.2562	2.221	5	107.2562	2.221	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	106.7433	10.921	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	106.7433	10.921	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2{1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	102.9670	0.000	1	102.9670	0.000	1	102.9670	0.000	1	106.7433	10.921	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:4:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	110.2772	9.945	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	109.4540	2.608	3	109.1950	3.648	5	109.1950	3.648	5	110.2772	9.945	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	108.8065	0.698	2	109.1950	3.648	5	109.1950	3.648	5	110.2772	9.945	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:4:1:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.3640	0.000	1	108.3640	0.000	1	109.3467	0.582	6	109.3467	0.582	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:4:4:1:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.5432	0.662	5	109.5432	0.438	5	109.3467	0.582	6	109.3467	0.582	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	3:4:3:1:	4:3:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH){2|H<1>,4|C<3>}	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS){1|C<3>,5|H<1>}	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS){1|C<3>,5|H<1>}	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	109.3520	2.738	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,5|H<1>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	109.3520	2.738	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	111.4720	0.000	1	111.4720	0.000	1	111.4720	0.000	1	111.7070	0.324	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	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[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	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>}	112.1595	0.241	2	112.1595	0.058	2	112.1595	0.058	2	111.7070	0.324	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.7070	0.324	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:4:2:1:	4:3:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:1:	4:4:4:1:	4:4:2:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5])	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5]){2|O<1>,4|C<4>,4|H<1>}	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:3:2:2:	3:4:2:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a])	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2{3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	109.2360	1.321	2	109.2360	1.745	2	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.9170	0.000	1	110.1690	0.286	4	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	110.1530	0.000	1	110.1690	0.286	4	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	109.6870	0.000	1	110.1690	0.286	4	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	110.9190	0.000	1	110.1690	0.286	4	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	110.2970	0.107	2	110.2970	0.012	2	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	110.3510	0.190	2	110.3510	0.036	2	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	109.4200	0.054	2	109.4200	0.003	2	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	109.9160	0.000	1	109.9160	0.000	1	109.9385	0.416	13	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.8900	0.000	1	109.8900	0.000	1	109.6150	0.151	2	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.3400	0.000	1	109.3400	0.000	1	109.6150	0.151	2	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.2451	1.518	18	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	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[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	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>}	113.2230	0.000	1	113.2230	0.000	1	113.2230	0.000	1	113.2230	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:2:	4:4:4:1:	4:3:2:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:P-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,1|P<4>,3|H<1>}	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:3:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:4:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2{1|N<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:4:	4:4:1:1:	4:3:2:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,4|H<1>}	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	105.5835	0.905	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,5|H<1>}	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	105.5835	0.905	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:2:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	106.6995	1.125	2	106.6995	1.266	2	106.6995	1.266	2	106.6995	1.266	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:3:4:	4:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:C[6]-4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH){1|O<2>,4|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:4:4:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC)	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC){1|C<3>,3|C<4>,3|H<1>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	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[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	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>}	109.8895	0.136	2	109.8895	0.019	2	109.8895	0.019	2	110.6418	0.417	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	111.1800	0.000	1	111.1800	0.000	1	110.9020	0.224	4	110.6418	0.417	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	110.8093	0.534	3	110.8093	0.285	3	110.9020	0.224	4	110.6418	0.417	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	110.8735	0.845	2	110.8735	0.714	2	110.8735	0.714	2	110.6418	0.417	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C){1|O<1>,2|C<4>,4|H<1>}	113.3265	1.283	2	113.3265	1.647	2	113.3265	1.647	2	113.3265	1.647	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:2:	4:4:2:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	109.5785	1.949	2	109.5785	3.801	2	109.5785	3.801	2	109.5785	3.801	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:2:	4:4:3:1:	4:2:3:	N[5,6]-3:C[6]-4:C[5,6]-3:C-2:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN)	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C)	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|H<1>,7|C<3>}	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:3:	4:3:2:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<2>,8|C<3>}	105.1590	0.000	1	105.1590	0.000	1	105.1590	0.000	1	105.1590	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	108.9243	0.915	3	108.9243	0.838	3	108.9243	0.838	3	108.9243	0.838	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:3:	4:3:4:4:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,3|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C){1|H<1>,3|C<4>,4|C<3>}	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,4|H<1>}	104.1150	0.000	1	104.1150	0.000	1	104.1150	0.000	1	104.1150	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:2:1:	4:2:3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:N[6]-2:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.2090	0.000	1	108.2090	0.000	1	107.8470	0.621	3	107.8470	0.621	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:2:1:	4:2:3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:N[6]-2:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.6660	1.022	2	107.6660	1.045	2	107.8470	0.621	3	107.8470	0.621	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	103.3600	0.000	1	103.3600	0.000	1	102.9544	0.331	8	102.9544	0.331	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<4>,5|H<1>}	102.8640	0.725	5	102.8964	0.355	7	102.9544	0.331	8	102.9544	0.331	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	102.9775	0.086	2	102.8964	0.355	7	102.9544	0.331	8	102.9544	0.331	8	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	107.0160	0.000	1	106.9165	0.020	2	106.9165	0.020	2	106.9165	0.020	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	106.8170	0.000	1	106.9165	0.020	2	106.9165	0.020	2	106.9165	0.020	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:3:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	111.9357	0.400	4	111.9357	0.160	4	111.9357	0.160	4	111.9357	0.160	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	114.6610	0.000	1	114.6610	0.000	1	113.7805	1.551	2	113.7805	1.551	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	112.9000	0.000	1	112.9000	0.000	1	113.7805	1.551	2	113.7805	1.551	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	3:4:4:4:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	111.7295	0.767	2	111.7295	0.589	2	112.2663	1.159	3	112.2663	1.159	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	3:4:4:4:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	113.3400	0.000	1	113.3400	0.000	1	112.2663	1.159	3	112.2663	1.159	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,3|H<1>,4|C<3>}	109.1040	0.000	1	109.1040	0.000	1	108.5670	0.577	2	108.5670	0.577	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.0300	0.000	1	108.0300	0.000	1	108.5670	0.577	2	108.5670	0.577	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	110.6280	8.686	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	110.6280	8.686	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<2>,7|H<1>}	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.1200	1.319	2	108.1200	1.741	2	108.2983	0.966	3	108.2983	0.966	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	108.6550	0.000	1	108.6550	0.000	1	108.2983	0.966	3	108.2983	0.966	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:4:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	109.9335	0.924	6	109.9335	0.854	6	109.6724	1.189	7	109.6724	1.189	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:4:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	108.1060	0.000	1	108.1060	0.000	1	109.6724	1.189	7	109.6724	1.189	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<3>,5|H<1>}	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:2:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[6]-2:O[5]-2:	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]N[6])(O[5]C[5])	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]N[6])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	107.2495	0.359	2	107.2495	0.129	2	107.2495	0.129	2	109.4967	6.782	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	111.8380	0.000	1	111.7440	0.018	2	111.7440	0.018	2	109.4967	6.782	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	111.6500	0.000	1	111.7440	0.018	2	111.7440	0.018	2	109.4967	6.782	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	111.3480	0.000	1	111.3480	0.000	1	109.3445	8.028	2	109.3445	8.028	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	107.3410	0.000	1	107.3410	0.000	1	109.3445	8.028	2	109.3445	8.028	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C){1|C<3>,1|S<4>,4|H<1>}	108.8445	0.120	2	108.8445	0.014	2	108.8445	0.014	2	109.9436	2.871	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	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>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	109.9436	2.871	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	109.9436	2.871	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	109.9436	2.871	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:2:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.9086	1.017	7	108.9086	1.035	7	108.9086	1.035	7	108.9086	1.035	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	109.5610	0.694	3	109.5610	0.482	3	109.5610	0.482	3	109.5610	0.482	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	111.6300	0.000	1	111.6300	0.000	1	112.3897	0.515	4	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P){2|C<3>,3|C<4>,5|H<1>}	113.3540	0.000	1	113.3540	0.000	1	112.3897	0.515	4	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	112.2875	0.131	2	112.2875	0.017	2	112.3897	0.515	4	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	111.6310	0.000	1	111.6310	0.000	1	109.3393	3.384	6	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	111.4850	0.000	1	111.4850	0.000	1	109.3393	3.384	6	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.2300	0.845	4	108.2300	0.714	4	109.3393	3.384	6	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<1>,3|C<4>,7|H<1>}	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	110.6817	4.165	14	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,7|H<1>}	112.8372	2.472	4	112.8372	6.111	4	112.8372	6.111	4	112.0082	8.020	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	112.0082	8.020	5	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.4495	0.006	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H){2|C<4>,6|H<1>}	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	111.4495	0.006	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	108.6825	3.361	2	108.6825	11.296	2	108.6825	11.296	2	110.0630	6.810	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HW)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HW)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,1|W<7>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|O<2>,1|W<7>,3|C<4>,3|H<1>}	106.4250	0.000	1	106.4250	0.000	1	109.8435	11.555	4	110.0630	6.810	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	110.9830	3.089	3	110.9830	9.542	3	109.8435	11.555	4	110.0630	6.810	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	110.0630	6.810	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2{1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|S<4>,2|C<4>,5|H<1>}	111.4015	0.071	2	111.4015	0.005	2	111.4015	0.005	2	110.0630	6.810	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O){1|B<4>,2|C<3>,4|H<1>}	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H){1|C<4>,1|O<2>,5|H<1>}	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	108.4500	0.963	2	108.4500	0.928	2	109.8190	3.691	4	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	112.3390	0.000	1	112.3390	0.000	1	109.8190	3.691	4	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	110.0370	0.000	1	110.0370	0.000	1	109.8190	3.691	4	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,7|H<1>}	110.9080	0.000	1	110.9080	0.000	1	109.8730	2.142	2	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C){1|C<4>,7|H<1>}	108.8380	0.000	1	108.8380	0.000	1	109.8730	2.142	2	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	110.7520	0.000	1	110.7520	0.000	1	109.4790	2.733	5	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	108.1880	0.000	2	109.1608	2.969	4	109.4790	2.733	5	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	111.7340	0.000	1	109.1608	2.969	4	109.4790	2.733	5	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	108.5330	0.000	1	109.1608	2.969	4	109.4790	2.733	5	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,7|H<1>}	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	109.9521	2.495	15	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:2:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	113.5000	0.000	3	113.5000	0.000	3	113.5000	0.000	3	113.5000	0.000	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){3|C<3>,4|C<4>,4|H<1>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){2|C<3>,2|H<1>,4|C<4>}	112.9447	0.405	4	112.9447	0.164	4	112.9447	0.164	4	112.9447	0.164	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	112.1437	0.227	3	112.1437	0.051	3	112.1437	0.051	3	112.1437	0.051	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:4:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){2|C<3>,4|H<1>,5|C<4>}	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	104.0140	0.778	2	104.0140	0.605	2	104.0140	0.605	2	104.5399	1.382	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<4>,5|H<1>}	104.7502	1.314	5	104.7502	1.728	5	104.7502	1.728	5	104.5399	1.382	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<4>,5|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:2:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	105.6503	0.098	3	105.6503	0.010	3	105.6503	0.010	3	105.6503	0.010	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:4:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	111.1795	3.414	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:4:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:S-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	111.1795	3.414	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:2:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	107.7463	0.246	3	107.7463	0.060	3	107.7463	0.060	3	107.7463	0.060	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:3:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	105.3300	0.000	1	105.3300	0.000	1	105.3300	0.000	1	105.3300	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.6355	0.589	2	109.6355	0.347	2	109.6355	0.347	2	109.6355	0.347	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5]){2|C<4>,7|H<1>}	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5]){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	107.9467	0.579	3	107.9467	0.335	3	107.9467	0.335	3	107.9467	0.335	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	104.4710	0.000	1	104.4710	0.000	1	104.4710	0.000	1	104.4710	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	108.4395	0.315	2	108.4395	0.099	2	108.4395	0.099	2	108.4395	0.099	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:2:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	106.1430	1.181	2	106.1430	1.394	2	106.1430	1.394	2	106.1430	1.394	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	110.6290	0.000	1	110.6290	0.000	1	110.6290	0.000	1	110.6290	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	110.8660	0.000	1	110.8660	0.000	1	110.8660	0.000	1	110.8660	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<4>,1|O<1>,6|H<1>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.5713	1.000	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	109.0715	1.371	2	109.0715	1.880	2	109.0715	1.880	2	109.5713	1.000	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	110.2900	0.000	1	109.8727	1.169	3	109.8727	1.169	3	109.5713	1.000	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	110.6830	0.000	1	109.8727	1.169	3	109.8727	1.169	3	109.5713	1.000	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	108.6450	0.000	1	109.8727	1.169	3	109.8727	1.169	3	109.5713	1.000	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	111.3895	4.040	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	113.5700	0.194	2	113.5700	0.038	2	113.5700	0.038	2	111.3895	4.040	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	111.3895	4.040	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	111.1440	0.000	1	111.1715	0.002	2	111.1715	0.002	2	111.3895	4.040	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,2|O<2>,6|H<1>}	111.1990	0.000	1	111.1715	0.002	2	111.1715	0.002	2	111.3895	4.040	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	108.9180	1.994	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	108.9180	1.994	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	108.9180	1.994	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	113.1850	0.208	2	113.1850	0.043	2	113.1850	0.043	2	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	111.0737	0.790	3	110.4434	1.522	5	108.9842	3.554	11	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,7|H<1>}	110.4620	0.000	1	110.4434	1.522	5	108.9842	3.554	11	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){4|C<4>,8|H<1>}	108.5340	0.000	1	110.4434	1.522	5	108.9842	3.554	11	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.0330	0.000	1	107.2246	0.268	5	108.9842	3.554	11	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	107.0225	0.291	4	107.2246	0.268	5	108.9842	3.554	11	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	110.4860	0.000	1	110.4860	0.000	1	108.9842	3.554	11	109.6305	5.454	13	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){1|O<1>,2|C<4>,4|H<1>}	108.0795	0.354	2	108.0795	0.126	2	108.3040	0.476	5	108.5950	0.599	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.9705	0.459	2	107.9705	0.211	2	108.3040	0.476	5	108.5950	0.599	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	109.4200	0.000	1	109.4200	0.000	1	108.3040	0.476	5	108.5950	0.599	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	108.5950	0.599	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	108.5950	0.599	7	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)2(O){1|O<1>,2|C<4>,5|H<1>}	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.5655	0.028	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.5655	0.028	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	110.2400	0.000	1	110.2400	0.000	1	111.7807	1.813	3	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	112.5510	0.257	2	112.5510	0.066	2	111.7807	1.813	3	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	107.5940	0.000	1	107.5940	0.000	1	108.7116	8.433	7	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	104.2760	0.000	1	104.2760	0.000	1	108.7116	8.433	7	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	111.9875	0.112	2	111.9875	0.013	2	108.7116	8.433	7	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,2|O<2>,6|H<1>}	109.4925	0.651	2	109.4925	0.424	2	108.7116	8.433	7	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	106.1510	0.000	1	106.1510	0.000	1	108.7116	8.433	7	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	113.2180	0.000	1	113.2180	0.000	1	110.7780	3.396	8	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	110.9897	1.403	3	111.3948	1.968	4	110.7780	3.396	8	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	112.6100	0.000	1	111.3948	1.968	4	110.7780	3.396	8	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.9200	0.000	1	107.9200	0.000	1	110.7780	3.396	8	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.7535	0.350	2	109.7535	0.123	2	110.7780	3.396	8	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	109.7645	0.121	2	109.7645	0.015	2	109.7645	0.015	2	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	110.1046	5.518	22	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,8|H<1>}	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:2:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|O<1>,3|H<1>,4|C<4>}	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){2|C<4>,6|H<1>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,5|H<1>}	104.2580	0.000	1	104.2580	0.000	1	104.2580	0.000	1	104.2580	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:1:	3:4:3:3:	3:4:3:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|O<1>,6|C<3>}	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:1:	4:4:3:3:	4:3:2:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:S[5]-2:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5])	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:2:	4:3:3:1:	4:2:2:	C[6]-4:C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-2:O[5]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	105.6680	0.000	1	105.6680	0.000	1	105.6680	0.000	1	105.6680	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:3:	4:3:3:1:	4:4:3:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:4:3:1:	3:4:3:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	3:4:1:1:	4:4:3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CBrH)	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CBrH){4|C<3>,4|H<1>}	107.7880	0.003	2	107.7880	0.000	2	107.7300	0.624	6	107.7300	0.624	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	3:4:1:1:	4:4:3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CClH)	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CClH){4|C<3>,4|H<1>}	106.9975	0.692	2	106.9975	0.479	2	107.7300	0.624	6	107.7300	0.624	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	3:4:1:1:	4:4:3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CHH)	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CHH){4|C<3>,4|H<1>}	108.4045	0.808	2	108.4045	0.653	2	107.7300	0.624	6	107.7300	0.624	6	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:2:1:1:	3:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.6895	0.897	2	109.6895	0.805	2	109.6797	0.403	3	109.6797	0.403	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:2:1:1:	3:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.6797	0.403	3	109.6797	0.403	3	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:2:1:1:	4:4:3:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|N<3>,2|C<3>,5|H<1>}	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|N<3>,6|H<1>}	106.5835	0.524	2	106.4456	0.147	5	106.4456	0.147	5	105.4798	2.135	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[5,5]C[6]H)(O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,5|H<1>}	106.3537	0.354	3	106.4456	0.147	5	106.4456	0.147	5	105.4798	2.135	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)2(O)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)2(O){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	103.0480	0.000	2	103.0480	0.000	2	104.2725	1.999	4	105.4798	2.135	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)2(O)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)2(O){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	105.4970	0.000	2	105.4970	0.000	2	104.2725	1.999	4	105.4798	2.135	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:3:1:	4:4:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|C<4>,2|C<3>,5|H<1>}	106.2120	0.542	2	106.2120	0.293	2	106.2120	0.293	2	106.2120	0.293	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:3:3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	111.7360	5.598	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:3:3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	111.7360	5.598	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:4:3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:2:	4:4:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.1970	0.000	1	105.1970	0.000	1	105.1970	0.000	1	105.1970	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|C<4>,2|C<3>,5|H<1>}	109.1015	3.690	2	109.1015	13.619	2	109.1015	13.619	2	109.1015	13.619	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH)	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH){4|C<4>,5|H<1>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	108.2450	8.812	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	108.2450	8.812	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6,6]C[6]H)2(O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5,6,6]C[6]H)2(O){1|C<4>,4|C<3>,4|H<1>}	105.3050	0.000	1	105.3050	0.000	1	105.3085	0.000	2	104.7078	0.654	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6,6]C[6]H)2(O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5,6,6]C[6]H)2(O){1|C<4>,4|C<3>,4|H<1>}	105.3120	0.000	1	105.3120	0.000	1	105.3085	0.000	2	104.7078	0.654	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	104.6160	0.000	1	104.6160	0.000	1	104.6160	0.000	1	104.7078	0.654	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	103.5980	0.000	1	103.5980	0.000	1	103.5980	0.000	1	104.7078	0.654	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	112.1365	2.431	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:	P[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|B<3>,1|C<2>,1|C<3>,1|C<4>,4|H<1>}	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	112.1365	2.431	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	4:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	117.7430	3.506	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	4:3:4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H)	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	117.7430	3.506	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	109.6055	0.600	2	109.6055	0.360	2	109.6055	0.360	2	109.6055	0.360	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H){1|N<3>,4|C<4>,4|H<1>}	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.1535	0.474	2	110.1535	0.225	2	110.1535	0.225	2	110.1535	0.225	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	3:4:1:1:	4:3:4:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH){1|S<4>,3|C<3>,3|H<1>}	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:2:1:1:	4:4:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<2>,7|H<1>}	103.1240	0.000	1	103.1240	0.000	1	103.1240	0.000	1	103.1240	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	109.9790	0.000	1	109.9790	0.000	1	109.7850	0.032	3	109.8760	0.054	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	109.6280	0.000	1	109.6280	0.000	1	109.7850	0.032	3	109.8760	0.054	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	109.7480	0.000	1	109.7480	0.000	1	109.7850	0.032	3	109.8760	0.054	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	109.8760	0.054	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	3:4:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O){1|N<3>,2|C<3>,3|H<1>}	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:2:1:1:	4:4:3:	C[3x5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	109.9289	0.456	8	109.9289	0.208	8	109.7630	0.429	9	109.7630	0.429	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	108.4360	0.000	1	108.4360	0.000	1	109.7630	0.429	9	109.7630	0.429	9	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	108.9105	1.452	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	109.5465	0.614	2	109.5465	0.378	2	109.5465	0.378	2	108.9105	1.452	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.9105	1.452	4	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:4:3:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	107.9245	17.660	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:4:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	107.9245	17.660	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	3:3:4:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	114.6260	0.204	2	114.6260	0.041	2	114.6260	0.041	2	114.6260	0.041	2	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:2:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	109.2508	7.132	442	109.3129	8.045	678
474	466	818	6:SP3_SP2_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	109.2508	7.132	442	109.3129	8.045	678