474	818	952	0:SP3_SP2_SP3	C[5,5]	C[5]	S	4:3:4:4:	4:3:2:	4:4:1:1:	C[5,5]-4:C[5]-3:S[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C-4:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO)	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO){1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)2	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S	4:3:4:1:	4:4:3:	4:3:1:1:	C[5,5,6]-4:C[5,6]-3:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6a]-3:O-1:O-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH)	S(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H){2|C<4>,2|F<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH){1|H<1>,1|O<2>,2|C<4>}	S(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(O)2	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5,6]	S	3:4:4:1:	3:3:4:	4:3:1:1:	C[5,6]-3:C[5]-4:S-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H){2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O)2	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	3:2:4:1:	4:3:1:	4:4:1:1:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C-4:O-1:O-1:	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H)	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br)	S(C[5]C[5]O[5]H)(CCHH)(O)2	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br){1|O<1>}	S(C[5]C[5]O[5]H)(CCHH)(O)2	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.8132	0.495	4	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	3:2:4:1:	4:3:1:	4:4:1:1:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-4:C[5]-3:Cl-1:	C[5]-4:C-4:O-1:O-1:	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	S(C[5]C[5]O[5]H)(CCHH)(O)2	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	S(C[5]C[5]O[5]H)(CCHH)(O)2	110.7620	0.853	3	110.7620	0.727	3	110.7620	0.727	3	110.8132	0.495	4	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	3:2:4:4:	3:4:1:	4:3:1:1:	C[5]-3:O[5]-2:C-4:S-4:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O)	S(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	S(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)2	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	3:3:2:4:	4:3:1:	4:4:1:1:	C[6a]-3:C[5]-3:S[5]-2:S-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:O-1:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO)	C[5](C[5]C[6a]S[5]S)(N[5]C[6a]C[5])(O)	S(C[5]C[6a]C[5]S[5])(CC[6a]HH)(O)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]S)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	S(C[5]C[6a]C[5]S[5])(CC[6a]HH)(O)2	105.0630	0.000	1	105.0630	0.000	1	105.0630	0.000	1	105.0630	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	3:3:3:4:	3:4:1:	4:4:1:1:	C[5]-3:C[5]-3:C[6a]-3:S-4:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-4:O-1:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O)	S(C[5]C[6a]C[5]2)(CH3)(O)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O){1|H<1>,1|O<1>,4|C<3>}	S(C[5]C[6a]C[5]2)(CH3)(O)2	106.5530	2.664	2	106.5530	7.099	2	106.5530	7.099	2	106.5530	7.099	2	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	3:3:4:1:	4:3:1:	4:3:1:1:	C[5,6a]-3:C[5]-3:S-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O)	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O){2|C<3>}	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)2	105.8620	0.000	1	105.8620	0.000	1	105.8620	0.000	1	105.8620	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H){1|C<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:F-1:	C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	C[5](C[5]C[5]FS)(N[5]C[5]O)(H)	S(C[6a]C[6a]2)(C[5]C[5]2F)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]FS)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2F)(O)2	105.6290	0.000	1	105.6290	0.000	1	105.6290	0.000	1	111.0460	6.990	7	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]C[5]H)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|O<2>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	111.0460	6.990	7	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	112.3973	0.866	3	112.3575	0.506	4	111.8230	1.808	5	111.0460	6.990	7	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	112.2380	0.000	1	112.3575	0.506	4	111.8230	1.808	5	111.0460	6.990	7	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	109.6850	0.000	1	109.6850	0.000	1	111.8230	1.808	5	111.0460	6.990	7	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H)	C[5](C[5]C[5,6]HS)(C[5]C[5,6]H)(H)	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HS)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O)2	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:2:	4:3:1:1:	C[4,5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H)	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5])	S(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	S(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)2	114.6335	3.890	2	114.6335	15.131	2	114.6335	15.131	2	114.6335	15.131	2	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:3:4:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:Si-4:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]C[5]C)(SiC3)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HS)(C[5]C[5]C)(SiC3){1|O<1>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	112.7470	0.000	1	112.7470	0.000	1	110.3617	4.350	6	110.3617	4.350	6	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	109.4855	0.136	2	109.4855	0.019	2	110.3617	4.350	6	110.3617	4.350	6	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	108.6720	1.120	2	108.6720	1.255	2	110.3617	4.350	6	110.3617	4.350	6	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:1:	3:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){2|C<4>}	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	113.1080	0.000	1	113.1080	0.000	1	110.3617	4.350	6	110.3617	4.350	6	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:1:	4:3:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[6]-3:O-1:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){2|C<4>,2|H<1>}	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:1:	4:4:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O)	S(C[5]C[5]2H)(CH3)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(O){1|C<3>,3|H<1>}	S(C[5]C[5]2H)(CH3)(O)2	110.1835	0.084	2	110.1835	0.007	2	110.1835	0.007	2	110.1835	0.007	2	110.3689	8.894	31	110.4737	9.327	34
474	818	952	0:SP3_SP2_SP3	C[5]	C[5]	S	4:3:4:1:	4:4:3:	4:3:1:1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-3:O-1:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2)	S(C[5]C[5]2H)(NC[6a]C)(O)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2){4|H<1>}	S(C[5]C[5]2H)(NC[6a]C)(O)2	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	110.3689	8.894	31	110.4737	9.327	34
474	818	955	0:SP3_SP2_SP3	C[5,5]	C[5]	P[5]	4:4:3:1:	4:3:2:	4:3:4:1:	C[5,5]-4:P[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5])	P[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	P[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	111.3405	18.721	2
474	818	955	0:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:4:3:1:	4:3:1:	3:3:3:4:	C[5]-4:P[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C[5]-4:	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[6a]P[5])(H)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H){10|C<3>}	C[5](C[5]C[5]P[5]H)(C[5]C[6a]P[5])(H){1|H<1>,7|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H){1|O<2>,1|P<3>,5|H<1>,8|C<3>}	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	111.3405	18.721	2
474	818	955	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	P[3x5,6]	4:4:3:1:	4:3:4:	4:4:2:1:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:S-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,6]C[5,6])(S)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,6]C[5,6])(S){2|C<4>,5|H<1>}	101.1250	0.000	1	101.1250	0.000	1	101.1250	0.000	1	101.1250	0.000	1	101.1120	0.000	2	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	P[3x5,6]	4:4:3:1:	4:3:4:	4:4:4:1:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:S-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(S)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,7|H<1>}	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(S){2|C<4>,5|H<1>}	101.0990	0.000	1	101.0990	0.000	1	101.0990	0.000	1	101.0990	0.000	1	101.1120	0.000	2	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	P[3x5,6]	4:4:3:1:	4:3:4:	4:4:2:1:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:S-1:	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,6]C[5,6])(S)	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,6]C[5,6])(S){2|C<4>,5|H<1>}	99.2339	0.000	1	99.2339	0.000	1	99.2339	0.000	1	99.2339	0.000	1	99.6920	0.420	2	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	P[3x5,6]	4:4:3:1:	4:3:4:	4:4:4:1:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:S-1:	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(S)	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(S){2|C<4>,5|H<1>}	100.1500	0.000	1	100.1500	0.000	1	100.1500	0.000	1	100.1500	0.000	1	99.6920	0.420	2	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:1:	4:4:3:2:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:N-2:	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]H)(H)	P[5,5](C[5,5,6]C[5,6]2H)2(NSi2)(NC)	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	P[5,5](C[5,5,6]C[5,6]2H)2(NSi2)(NC){6|H<1>}	97.7134	0.400	2	97.7134	0.160	2	97.7134	0.160	2	97.7134	0.160	2	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:3:1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(S)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(S){3|C<3>,3|C<4>,4|H<1>}	98.4933	0.000	1	98.7809	0.165	2	98.7809	0.165	2	98.7809	0.165	2	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:3:1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(S)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(S){3|C<3>,3|C<4>,4|H<1>}	99.0685	0.000	1	98.7809	0.165	2	98.7809	0.165	2	98.7809	0.165	2	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:3:4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(CH3){2|C<4>,4|C<3>,4|H<1>}	97.4616	0.021	2	97.4616	0.000	2	97.4616	0.000	2	97.4616	0.000	2	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:4:1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC3)(S)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC3)(S){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	99.7918	0.000	1	99.7918	0.000	1	99.5550	0.182	6	99.5550	0.182	6	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:4:1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC3)(S)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC3)(S){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	100.2600	0.000	1	100.2600	0.000	1	99.5550	0.182	6	99.5550	0.182	6	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:4:1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S){1|C<3>,2|H<1>,3|C<4>}	99.2026	0.242	2	99.3196	0.044	4	99.5550	0.182	6	99.5550	0.182	6	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	P[5,5]	4:4:3:1:	4:3:4:	4:4:4:1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S){1|C<3>,2|H<1>,3|C<4>}	99.4366	0.140	2	99.3196	0.044	4	99.5550	0.182	6	99.5550	0.182	6	98.7702	0.963	12	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,6]	C[5,6]	P[5]	4:3:4:1:	4:4:3:	4:3:3:2:	P[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[5]-3:C-2:	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC)	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[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>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC){2|C<3>,3|H<1>,4|C<4>}	101.7220	0.000	1	101.7220	0.000	1	101.7220	0.000	1	101.7220	0.000	1	101.7220	0.000	1	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5,6]	C[5]	P[5,6]	4:3:4:3:	4:3:1:	4:4:2:1:	P[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:S-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[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H)	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S)	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[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>}	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S){1|C<4>,3|H<1>,4|C<3>}	100.3850	0.000	1	100.3850	0.000	1	100.3850	0.000	1	100.3850	0.000	1	100.3850	0.000	1	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5,6]	P[5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6]-3:P[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H)	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]HH)(CC3)2	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2{1|Cl<1>,1|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]HH)(CC3)2{4|C<3>}	105.4190	0.000	1	105.4190	0.000	1	105.4190	0.000	1	105.4190	0.000	1	103.6008	2.342	5	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5,6]	P[5]	3:4:1:1:	3:4:4:	4:4:3:2:	C[5,6]-3:P[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH)	P[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	P[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,2|H<1>}	102.3950	0.250	2	102.3950	0.063	2	102.3950	0.063	2	102.3950	0.063	2	103.6008	2.342	5	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5,6]	P[5]	3:4:3:1:	4:4:3:	4:4:3:3:	C[5,6]-3:P[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O)	P[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H){1|C<4>,2|O<2>,3|H<1>,4|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>}	P[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)2{1|H<1>,5|C<3>,5|C<4>}	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	103.6008	2.342	5	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5,6]	P[5]	3:4:4:1:	3:4:3:	4:4:4:4:	C[5,6]-3:P[5]-4:Ga-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H)	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]GaH)(CC3)2	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]GaH)(CC3)2{4|C<3>}	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	103.6008	2.342	5	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5,6]	4:3:1:1:	4:3:4:	4:4:4:3:	P[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	P[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]Si)	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	P[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]Si){1|C<3>,2|H<1>,3|C<4>}	104.0185	0.374	6	104.0185	0.140	6	104.0185	0.140	6	104.0185	0.140	6	104.0185	0.140	6	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	3:4:3:	3:3:4:1:	P[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-1:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(O){3|H<1>,5|C<3>}	104.9510	0.000	1	104.9510	0.000	1	104.9510	0.000	1	104.9510	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	3:3:4:4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH)	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2{1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH){1|H<1>,4|C<3>,5|C<4>}	99.5067	0.000	1	99.5067	0.000	1	99.5067	0.000	1	99.5067	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	3:4:3:2:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:C-2:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{1|B<3>,1|H<1>,2|C<3>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<3>,1|C<2>,1|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC){1|H<1>,2|C<3>,3|C<4>}	102.6240	0.000	1	102.6240	0.000	1	102.6240	0.000	1	102.6240	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	3:4:4:1:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:Cl-1:	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(Cl)	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(Cl){2|C<3>,2|C<4>,2|H<1>}	101.8610	0.000	1	101.8610	0.000	1	101.8610	0.000	1	101.8610	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	4:4:3:1:	P[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:O-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H)	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	P[5](C[5]C[5]BrH)2(C[6a]C[6a]2)(O)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	P[5](C[5]C[5]BrH)2(C[6a]C[6a]2)(O){2|C<3>,2|C<4>,2|H<1>}	104.7470	0.337	2	104.7470	0.113	2	104.7470	0.113	2	103.6990	1.518	4	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	4:4:3:1:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N-3:Cl-1:	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	P[5](C[5]C[5]HH)2(NSi2)(Cl)	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	P[5](C[5]C[5]HH)2(NSi2)(Cl){2|C<4>}	102.6510	0.221	2	102.6510	0.049	2	102.6510	0.049	2	103.6990	1.518	4	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	4:4:3:2:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N-3:N-2:	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	P[5](C[5]C[5]HH)2(NCC)(NP)	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	P[5](C[5]C[5]HH)2(NCC)(NP){2|C<4>}	101.4720	0.059	2	101.4720	0.004	2	101.7800	0.132	4	101.7800	0.132	4	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:1:1:	4:3:4:	4:4:3:2:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N-3:N-2:	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	P[5](C[5]C[5]HH)2(NSi2)(NC)	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	P[5](C[5]C[5]HH)2(NSi2)(NC){2|C<4>}	102.0880	0.112	2	102.0880	0.012	2	101.7800	0.132	4	101.7800	0.132	4	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:3:1:	4:3:1:	4:3:2:1:	P[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:Se[5]-2:Se-1:	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[6a]P[5]H)(C[5]Se[5]C)(H)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se)	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]Se[5]C)(H){1|Se<1>,3|C<3>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se){3|H<1>,5|C<3>}	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:3:3:	4:3:3:	4:3:3:3:	P[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]P[5]C)(C[5]C[5]C)(COO)	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO){2|H<1>,8|C<3>}	C[5](C[5]C[6a]P[5]C)(C[5]C[5]C)(COO){5|C<3>}	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,8|C<3>}	101.4970	0.000	1	101.4970	0.000	1	101.4970	0.000	1	101.4970	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:4:1:	4:3:1:	3:3:4:4:	P[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H)	C[5](C[5]P[5]BH)(C[5]C[5]C)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH)	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]P[5]BH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH){1|H<1>,4|C<3>,5|C<4>}	97.9835	0.000	1	97.9835	0.000	1	97.9835	0.000	1	97.9835	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	955	5:SP3_SP2_SP3	C[5]	C[5]	P[5]	4:3:4:2:	4:2:1:	4:4:1:1:	P[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]P[5]CO)(O[5]C[5])(O)	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]P[5]CO)(O[5]C[5])(O){1|C<3>,1|C<4>,2|O<1>}	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2{1|O<1>}	103.6530	0.000	1	103.6530	0.000	1	103.6530	0.000	1	103.6530	0.000	1	102.5900	5.017	16	101.6114	6.192	45
474	818	956	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	N	4:2:3:3:	4:3:1:	4:1:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O-1:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H)	N(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(O)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	N(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(O)2	116.0010	1.471	2	116.0010	2.163	2	116.0010	2.163	2	116.0010	2.163	2	113.5720	18.782	3	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	N	4:4:3:3:	4:4:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(O)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	113.5720	18.782	3	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5,5]	C[5]	N	4:2:3:3:	4:3:1:	4:1:1:	C[5,5]-4:O[5]-2:C[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O-1:O-1:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO)	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H)	N(C[5,5]C[5,5]C[5]O[5])(O)2	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	N(C[5,5]C[5,5]C[5]O[5])(O)2	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5,6]	C[5,6]	N	4:3:3:1:	4:4:3:	4:4:3:	C[5,5,6]-4:C[5,6]-3:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5,6]	C[5]	N	4:4:3:3:	4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH)	C[5](C[5,6]C[5,6]C[6]N)(O[5]C[5])(O)	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	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[5](C[5,6]C[5,6]C[6]N)(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.8763	0.952	3	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5,6]	C[5]	N	4:4:3:3:	4:3:1:	4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:N[5]-3:S-1:	C[5,6]-4:O-1:O-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[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S)	N(C[5,6]C[5,6]C[5]C[6])(O)2	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[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>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	108.9270	1.375	2	108.9270	1.890	2	108.9270	1.890	2	108.9270	1.890	2	108.8763	0.952	3	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5,6]	N	3:3:4:3:	3:4:4:	4:1:1:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	N(C[5]C[5,6a]C[5,6]C)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	N(C[5]C[5,6a]C[5,6]C)(O)2	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	108.6885	6.108	2	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5,6]	N	3:4:3:1:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-4:N-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O)	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H){1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	108.6885	6.108	2	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	2:3:3:1:	3:4:1:	4:3:1:	O[5]-2:C[5]-3:N-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H){1|C<3>,1|C<4>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:2:3:1:	3:4:3:	4:4:1:	C[5]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:S-4:H-1:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH)	N(C[5]C[5]O[5]H)(SC[6a]OO)(H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	N(C[5]C[5]O[5]H)(SC[6a]OO)(H)	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:2:4:3:	3:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:N-3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O)	N(C[5]C[5]O[5]C)(CC[6]O)(H)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[5]C[5]O[5]C)(CC[6]O)(H)	114.0520	2.302	2	114.0520	5.301	2	114.0520	5.301	2	114.0520	5.301	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:2:3:	3:4:3:	4:3:1:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH)	N(C[5]C[6a]C[5]O[5])(CCO)(H)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	N(C[5]C[6a]C[5]O[5])(CCO)(H)	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:2:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:S-2:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN)	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	110.3730	0.000	2	110.3730	0.000	2	110.3730	0.000	2	110.3730	0.000	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	N(C[5]C[5,6a]C[5]H)(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	N(C[5]C[5,6a]C[5]H)(CCO)(H)	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:1:	4:3:3:	4:4:4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:S-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	N(C[5]C[5,6a]C[5]H)(SCOO)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H){1|C<2>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N(C[5]C[5,6a]C[5]H)(SCOO)(CH3)	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N-3:C-2:	N[5]-3:C[5]-4:O-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:2:	3:4:1:	4:3:1:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O)	N(C[5]C[5]2O)(CC[6a]O)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5]2O)(CC[6a]O)(H)	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:2:	3:4:2:	4:3:1:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	N(C[5]C[5]2O)(CC[6a]O)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	N(C[5]C[5]2O)(CC[6a]O)(H)	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:2:	4:2:4:	3:4:1:	C[5]-3:C[5]-3:N-3:C-2:	C[5]-4:N[5]-2:C-4:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	108.5170	18.715	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO)	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]O)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]O)(COO)(H)	105.4580	0.000	1	105.4580	0.000	1	105.4580	0.000	1	108.5170	18.715	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	3:4:1:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|H<1>,5|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	110.7430	0.535	2	110.7430	0.286	2	110.7430	0.286	2	108.1977	19.579	3	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	3:4:1:	4:3:1:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O)	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	N(C[5]C[6a]C[5]N[5])(CCO)(H)	103.1070	0.000	1	103.1070	0.000	1	103.1070	0.000	1	108.1977	19.579	3	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	3:4:1:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(CCO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	N(C[5]C[5]2C)(CCO)(OH)	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	3:4:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:N-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	110.2160	0.806	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	3:4:1:	4:3:3:	N[5]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:N-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O)	N(C[5]C[5]N[5]C)(COO)(NCH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O){1|H<1>,3|C<3>}	N(C[5]C[5]N[5]C)(COO)(NCH)	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	110.2160	0.806	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	114.8395	0.337	2	114.8395	0.114	2	114.8395	0.114	2	114.8395	0.114	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:2:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH)	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	110.8183	0.465	4	110.8183	0.216	4	110.8183	0.216	4	110.4620	0.797	5	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:2:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH)	C[5](C[5]C[6a]C[5]N)(O[5]C[5])(O)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(O[5]C[5])(O){1|C<4>,3|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	110.4620	0.797	5	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:2:1:	4:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC)	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O)	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:2:4:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	N(C[5]C[5a]C[5]2)(COO)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	N(C[5]C[5a]C[5]2)(COO)(H)	114.8610	0.321	2	114.8610	0.103	2	114.8610	0.103	2	114.8610	0.103	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:2:4:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(CCO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	N(C[5]C[5]2C)(CCO)(OH)	113.3070	0.000	1	113.3070	0.000	1	114.1095	1.288	2	114.1095	1.288	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:2:4:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(COO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	N(C[5]C[5]2C)(COO)(OH)	114.9120	0.000	1	114.9120	0.000	1	114.1095	1.288	2	114.1095	1.288	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:1:1:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[5](C[5]C[6a]C[5]N)(N[5]C[5,6]H)(O)	N(C[5]C[6a]C[5]2)(O)2	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5,6]H)(O){1|O<1>,2|C<3>,2|C<4>}	N(C[5]C[6a]C[5]2)(O)2	104.2720	0.000	1	104.2720	0.000	1	104.2720	0.000	1	104.2720	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	109.5505	0.203	2	109.5505	0.041	2	110.0787	0.857	3	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.1350	0.000	1	111.1350	0.000	1	110.0787	0.857	3	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]N)(COO)(H)	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	111.6640	0.126	2	111.6640	0.016	2	111.6640	0.016	2	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	N(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)	113.1990	0.000	1	113.1990	0.000	1	113.1990	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	106.1360	0.000	1	106.1360	0.000	1	108.8525	6.793	4	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	107.1880	0.000	1	109.7580	5.270	3	108.8525	6.793	4	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	111.0430	0.795	2	109.7580	5.270	3	108.8525	6.793	4	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	111.7980	1.543	2	111.7980	2.381	2	112.5643	2.952	3	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	114.0970	0.000	1	114.0970	0.000	1	112.5643	2.952	3	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	104.0290	0.000	1	104.0290	0.000	1	107.5113	29.485	3	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	109.2525	6.386	2	109.2525	40.779	2	107.5113	29.485	3	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O)	N(C[5]C[5a]C[5]2)(COO)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	N(C[5]C[5a]C[5]2)(COO)(H)	111.8890	0.481	2	111.8890	0.231	2	111.8890	0.231	2	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]H)(O)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5]H)(O){4|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O)	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	110.4103	8.374	24	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5]C)(O)	N(C[5]C[5]2C)(COO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C[5](C[5]C[5]CN)(N[5]N[5]C)(O){1|C<4>}	N(C[5]C[5]2C)(COO)(OH)	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	109.8840	3.328	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	109.8840	3.328	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:I-1:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	112.3675	0.295	2	112.3675	0.087	2	112.3675	0.087	2	112.2455	0.051	4	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SCOO)(H)	112.1235	0.086	2	112.1235	0.007	2	112.1235	0.007	2	112.2455	0.051	4	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	113.0590	15.511	4	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO){1|H<1>,1|O<1>,4|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	114.5490	0.000	1	114.5490	0.000	1	114.3140	0.110	2	113.0590	15.511	4	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH)	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO){1|O<1>,2|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	114.0790	0.000	1	114.0790	0.000	1	114.3140	0.110	2	113.0590	15.511	4	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H)	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	113.0590	15.511	4	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:3:	4:4:1:	4:1:1:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O)	N(C[5]C[6a]C[5]2)(O)2	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	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>}	N(C[5]C[6a]C[5]2)(O)2	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N-3:C-4:	N[5]-3:C[5]-4:O-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O)	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O){2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	3:4:2:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	112.8390	0.368	2	112.8390	0.135	2	112.8390	0.135	2	112.8390	0.135	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	4:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:N[5]-2:N-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	114.0990	0.000	1	114.0990	0.000	1	114.1770	0.012	2	114.1770	0.012	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	4:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:N[5]-2:N-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	114.2550	0.000	1	114.2550	0.000	1	114.1770	0.012	2	114.1770	0.012	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	113.2760	0.000	1	113.2760	0.000	1	114.1920	0.850	3	114.1920	0.850	3	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	115.1200	0.000	1	115.1200	0.000	1	114.1920	0.850	3	114.1920	0.850	3	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	114.1800	0.000	1	114.1800	0.000	1	114.1920	0.850	3	114.1920	0.850	3	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:3:4:	4:3:4:	3:4:1:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O){1|C<4>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	111.3415	0.411	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	N(C[5]C[5]2C)(COO)(H)	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.3415	0.411	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	3:4:1:	4:3:2:	C[5]-3:C[5]-3:C-4:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(CNO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	N(C[5]C[5]2C)(CNO)(OH)	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH)	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	111.0705	3.254	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:P-4:N-3:	C[5]-4:N[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH)	C[5](C[5]C[5,6a]NP)(N[5]C[5,6a])(O)	N(C[5]C[5,6a]C[5]P)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NP)(N[5]C[5,6a])(O){2|C<3>}	N(C[5]C[5,6a]C[5]P)(COO)(H)	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	111.0705	3.254	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:2:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:P-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){3|C<3>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	108.6215	1.155	2	108.6215	1.333	2	108.6215	1.333	2	108.6215	1.333	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:2:4:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	N(C[5]C[5]2C)(COO)(H)	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:2:4:	4:3:2:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(CNO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	N(C[5]C[5]2C)(CNO)(OH)	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.6430	0.287	2	108.6430	0.082	2	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	113.5570	0.000	1	113.5570	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	109.2050	0.000	1	109.2050	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(CNO)(H)	109.9980	0.000	1	109.9980	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.9080	0.000	1	111.9080	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	112.3220	1.294	3	112.3220	1.675	3	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.8110	0.000	1	111.8110	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.7440	0.000	1	111.7440	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	110.9997	0.741	6	110.9997	0.548	6	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	110.5330	0.000	1	110.5330	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	112.8397	0.442	4	112.8397	0.195	4	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	109.6040	0.000	1	109.6040	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	112.0230	0.000	1	112.0230	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	112.0630	0.000	1	112.0630	0.000	1	111.3622	2.105	25	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(SCO)(H)	111.4250	0.000	1	111.1935	0.107	2	109.3476	3.666	5	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(SCO)(H)	110.9620	0.000	1	111.1935	0.107	2	109.3476	3.666	5	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(SCO)(H)	109.5770	0.000	1	109.5770	0.000	1	109.3476	3.666	5	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(SCO)(H)	107.3870	0.020	2	107.3870	0.000	2	109.3476	3.666	5	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5]CN)(N[5]C[5]C)(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CN)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	N(C[5]C[5]2C)(CC[6a]O)(H)	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	111.0588	2.769	31	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	110.3330	0.001	2	110.3330	0.000	2	110.3330	0.000	2	110.3330	0.000	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	106.7570	0.000	1	106.7570	0.000	1	106.7570	0.000	1	107.3540	0.713	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	C[5](C[5]N[5]CN)(N[5]C[5]C)(O)	N(C[5]C[5]N[5]C)(CCHH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	C[5](C[5]N[5]CN)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	N(C[5]C[5]N[5]C)(CCHH)(H)	107.9510	0.000	1	107.9510	0.000	1	107.9510	0.000	1	107.3540	0.713	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:3:4:3:	4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	N(C[5]C[5]2C)(CC[6a]O)(H)	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:2:3:	4:3:1:	4:3:1:	C[5]-3:C-4:O[5]-2:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	C[5](C[5]O[5]CN)(N[5]C[5]S)(O)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]O[5]CN)(N[5]C[5]S)(O){1|C<3>,1|H<1>}	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:C-3:N-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2)	N(C[5]C[5]2H)(COO)(NCH)	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	N(C[5]C[5]2H)(COO)(NCH)	112.6290	0.000	1	112.6290	0.000	1	112.6290	0.000	1	112.6290	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	112.3750	0.000	1	112.3750	0.000	1	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	111.6153	0.948	4	111.6153	0.898	4	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	110.6760	0.000	1	110.6760	0.000	1	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	113.1460	0.000	1	113.1460	0.000	1	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	112.9590	0.000	1	112.9590	0.000	1	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	112.0070	0.000	1	112.0070	0.000	1	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	111.6210	0.000	1	111.6210	0.000	1	111.9245	0.833	10	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	N(C[5]C[5,6a]C[5]2)(SCO)(H)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	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[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>}	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	111.6676	1.677	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){2|C<4>,5|H<1>}	N(C[5]C[5]2H)(CC[6a]O)(H)	112.1730	0.000	1	112.1730	0.000	1	111.8818	0.780	6	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,4|H<1>}	N(C[5]C[5]2H)(COO)(H)	110.9490	0.000	1	110.9490	0.000	1	111.8818	0.780	6	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	N(C[5]C[5]2H)(COO)(H)	113.1390	0.000	1	113.1390	0.000	1	111.8818	0.780	6	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H){1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,2|H<1>}	N(C[5]C[5]2H)(COO)(H)	112.5170	0.000	1	112.5170	0.000	1	111.8818	0.780	6	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N(C[5]C[5]2H)(CC[6a]O)(H)	110.9580	0.000	1	111.2565	0.178	2	111.8818	0.780	6	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[5]C[5]2H)(CC[6a]O)(H)	111.5550	0.000	1	111.2565	0.178	2	111.8818	0.780	6	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H){5|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(O){1|H<1>,3|C<3>}	N(C[5]C[5]2H)(CC[6a]O)(H)	113.9620	0.000	1	113.9620	0.000	1	111.9557	3.041	3	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](N[5]C[5,6]H)(C[5]C[5]HN)(O){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(COO)(H)	110.8040	0.000	1	110.8040	0.000	1	111.9557	3.041	3	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O){1|O<2>,2|C<3>,3|H<1>}	N(C[5]C[5]2H)(COO)(H)	111.1010	0.000	1	111.1010	0.000	1	111.9557	3.041	3	111.9064	1.249	9	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:3:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-3:C[5]-4:O-1:	C[5]-4:S-4:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(SCOO)(CCH)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HN)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5]2H)(SCOO)(CCH)	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:4:	C[5]-4:C[5]-3:N-3:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C-4:S-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,4|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	3:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(NC[6a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(NC[6a]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(O)	N(C[5]C[5,5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(NCH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[5]C[5,5]C[5]H)(COO)(H)	113.2280	0.000	1	113.2280	0.000	1	113.2280	0.000	1	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]H)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(O)	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(CCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){4|H<1>}	N(C[5]C[5]2H)(CCO)(H)	111.5265	0.687	2	111.5265	0.471	2	112.9973	2.190	7	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|C<4>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]O)(H)	112.2990	0.000	1	112.2990	0.000	1	112.9973	2.190	7	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|C<4>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(COO)(H)	112.9290	0.000	1	112.9290	0.000	1	112.9973	2.190	7	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(CCO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	N(C[5]C[5]2H)(CCO)(H)	112.8070	0.000	1	112.8070	0.000	1	112.9973	2.190	7	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){1|C<3>,1|O<2>,2|H<1>}	N(C[5]C[5]2H)(COO)(H)	114.9465	0.462	2	114.9465	0.213	2	112.9973	2.190	7	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:S[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(S[5]C[5])(O)	N(C[5]C[5]2H)(CCO)(H)	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(S[5]C[5])(O){4|H<1>}	N(C[5]C[5]2H)(CCO)(H)	110.6020	0.000	1	110.6020	0.000	1	110.8925	0.169	2	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:S[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(S[5]C[5])(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(S[5]C[5])(O){4|H<1>}	N(C[5]C[5]2H)(COO)(H)	111.1830	0.000	1	111.1830	0.000	1	110.8925	0.169	2	112.0383	5.527	11	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:N-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHN)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHN)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){1|C<3>,3|H<1>}	N(C[5]C[5]2H)(NH3)(H)	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	109.7855	4.144	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHS)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHS)(H){2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){4|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	109.7855	4.144	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	3:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:1:1:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]H)(H)	N(C[5]C[5,6]C[5]H)(O)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HN)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	N(C[5]C[5,6]C[5]H)(O)2	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	N(C[5]C[5,5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,5]C[5]H)(COO)(H)	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.5187	0.806	6	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]O)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]HN)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	N(C[5]C[5]2H)(COO)(H)	111.2673	1.302	3	111.2673	1.696	3	111.5334	1.006	5	111.5187	0.806	6	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]S[5]C)(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H){1|C<4>}	C[5](C[5]C[5]HN)(N[5]S[5]C)(O){2|H<1>}	N(C[5]C[5]2H)(COO)(H)	111.9325	0.320	2	111.9325	0.103	2	111.5334	1.006	5	111.5187	0.806	6	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:2:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:N-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(COO)(NC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5]2H)(COO)(NC)	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.0690	1.552	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:2:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(CCO)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	N(C[5]C[5]2H)(CCO)(OH)	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	114.0690	1.552	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:N-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[5]C[5,5]C[5]H)(COO)(NCH)	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	112.0940	1.003	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:3:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:N-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(O)	N(C[5]C[5]2H)(COO)(NCH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	N(C[5]C[5]2H)(COO)(NCH)	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.0940	1.003	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-3:N-3:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCC)	N(C[5]C[5]2H)(COO)(NCH)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCC){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(COO)(NCH)	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:1:	4:3:4:	4:1:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:O-1:O-1:	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3)	N(C[5]C[5]2H)(O)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H){1|Br<1>,2|O<1>}	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3){2|H<1>,2|O<1>}	N(C[5]C[5]2H)(O)2	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-4:O-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]2N)(O)	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2N)(O){1|C<4>,1|F<1>,4|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	N(C[5]C[6a]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|O<2>,2|H<1>,4|C<3>}	N(C[5]C[6a]C[5]2)(COO)(H)	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-2:C-4:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]2N)(N[5]N[5])(CH3)	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5]2N)(N[5]N[5])(CH3){1|F<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:3:	4:3:1:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	112.2150	4.107	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	112.2150	4.107	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,1|H<1>,1|S<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N(C[5]C[5]2C)(CC[6a]O)(H)	108.7680	0.000	1	108.7680	0.000	1	110.1725	3.945	2	110.1725	3.945	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N(C[5]C[5]2C)(CC[6a]O)(H)	111.5770	0.000	1	111.5770	0.000	1	110.1725	3.945	2	110.1725	3.945	2	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:1:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO)	C[5](C[5]C[5]CN)(N[5]C[5])(H)	N(C[5]C[5]2C)(O)2	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO){1|H<1>,3|C<3>}	C[5](C[5]C[5]CN)(N[5]C[5])(H){2|C<3>,2|H<1>}	N(C[5]C[5]2C)(O)2	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH)	C[5](C[5]C[5,5]CN)(O[5]N[5,5])(O)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CN)(O[5]N[5,5])(O){1|C<4>,2|C<3>}	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	110.7406	1.672	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	110.4400	0.000	1	110.4400	0.000	1	110.0482	0.219	4	110.7406	1.672	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	110.1915	0.063	2	110.1915	0.004	2	110.0482	0.219	4	110.7406	1.672	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH)	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	N(C[5]C[5,6]C[5]C)(CCO)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	N(C[5]C[5,6]C[5]C)(CCO)(H)	109.3700	0.000	1	109.3700	0.000	1	110.0482	0.219	4	110.7406	1.672	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C[5](C[5]C[5]CN)(O[5]N[5])(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>}	C[5](C[5]C[5]CN)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]2C)(CC[6a]O)(H)	111.6008	0.954	5	111.6008	0.910	5	111.6008	0.910	5	110.7406	1.672	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP2	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:S[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH)	C[5](C[5]C[5]CN)(S[5]C[5])(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH){2|H<1>}	C[5](C[5]C[5]CN)(S[5]C[5])(O){1|O<2>,3|H<1>}	N(C[5]C[5]2C)(CC[6a]O)(H)	109.3635	1.785	2	109.3635	3.188	2	109.3635	3.188	2	110.7406	1.672	12	111.4138	5.639	198	111.3971	5.880	208
474	818	956	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	N	4:4:3:3:	4:4:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(O)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N	3:4:2:3:	4:4:3:	4:4:4:	C[5,6]-3:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC)	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	N(C[5,6]C[5,6]C[6]O[5])(CH3)2	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[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>}	N(C[5,6]C[5,6]C[6]O[5])(CH3)2	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5,6]	C[5]	N	4:4:3:3:	4:3:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O)	N(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)	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[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>}	N(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	114.9920	0.000	1	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:2:3:1:	3:3:4:	4:4:4:	C[5]-3:O[5]-2:N-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:S-4:C-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	N(C[5]C[5]O[5]H)(SCOO)(CH3)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	N(C[5]C[5]O[5]H)(SCOO)(CH3)	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:2:4:3:	4:3:3:	4:1:1:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si)	N(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si){2|C<4>}	N(C[5]C[5]O[5]C)(H)2	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:2:3:	3:4:1:	4:4:4:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C-4:C-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O)	N(C[5]C[6a]C[5]O[5])(CH3)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O){1|H<1>,4|C<3>}	N(C[5]C[6a]C[5]O[5])(CH3)2	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:1:	3:4:2:	4:1:1:	C[5]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:H-1:H-1:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5])	N(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N(C[5]C[5]N[5]H)(H)2	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:1:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-3:C[5]-4:C-3:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C)	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C){4|C<3>}	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:1:	4:2:1:	4:4:1:	N[5]-3:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:C-1:	C[5]-4:S-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H)	C[5](C[5]N[5]HN)(O[5]C[5])(C)	N(C[5]C[5]N[5]H)(SC[6a]OO)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5]HN)(O[5]C[5])(C){1|C<3>,1|O<1>}	N(C[5]C[5]N[5]H)(SC[6a]OO)(H)	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:1:	4:3:3:	4:4:1:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	113.3020	0.447	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:1:	4:3:3:	4:4:1:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2)	N(C[5]C[5,6a]C[5]H)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2){2|C<3>}	N(C[5]C[5,6a]C[5]H)(SCOO)(H)	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	113.3020	0.447	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:1:	4:3:4:	4:4:1:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	3:4:1:	3:4:4:	C[5]-3:C[5]-3:N-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[5,6a]O)2(NC[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O)	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C[5](C[5]C[5,6a]O)2(NC[6a]C)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	110.6438	1.705	12	110.6438	2.906	12	110.6438	2.906	12	110.6438	2.906	12	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	3:4:1:	4:2:1:	C[5]-3:C[5]-3:C-3:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:O-2:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(OH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	N(C[5]C[5]2C)(OH)(H)	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:2:4:	4:2:1:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:O-2:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(OH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	N(C[5]C[5]2C)(OH)(H)	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:2:4:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(CCO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	N(C[5]C[5]2C)(CCO)(OH)	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]N)(COO)(H)	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	109.9688	10.160	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	104.5220	0.000	1	104.5220	0.000	1	104.5220	0.000	1	109.9688	10.160	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	111.9270	0.000	2	111.9270	0.000	2	111.9270	0.000	2	109.9688	10.160	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[6a]C[5])(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SCO)(H)	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.9688	10.160	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5]C)(O)	N(C[5]C[5]2C)(CCO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C[5](C[5]C[5]CN)(N[5]N[5]C)(O){1|C<4>}	N(C[5]C[5]2C)(CCO)(OH)	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:I-1:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:4:	3:4:2:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	112.4600	0.279	2	112.4600	0.078	2	111.5603	15.916	6	111.5603	15.916	6	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:4:	3:4:2:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	111.1105	5.069	4	111.1105	25.691	4	111.5603	15.916	6	111.5603	15.916	6	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:3:4:	4:3:1:	4:3:2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	106.5975	1.044	2	106.5975	1.091	2	106.5975	1.091	2	106.5975	1.091	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	3:4:1:	4:3:2:	C[5]-3:C[5]-3:C-4:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	N(C[5]C[5]2C)(CNO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	N(C[5]C[5]2C)(CNO)(OH)	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	3:4:2:	4:4:1:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-4:C-4:H-1:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5])	N(C[5]C[6a]C[5]2)(CCHH)(H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	N(C[5]C[6a]C[5]2)(CCHH)(H)	114.8270	0.058	2	114.8270	0.003	2	114.8270	0.003	2	114.8270	0.003	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:2:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:P-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	110.4652	1.931	4	110.4652	3.728	4	110.4652	3.728	4	110.4652	3.728	4	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:2:4:	4:3:2:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	N(C[5]C[5]2C)(CNO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	N(C[5]C[5]2C)(CNO)(OH)	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:1:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	N(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(H)2	113.5215	0.070	2	113.5215	0.005	2	113.5215	0.005	2	113.5215	0.005	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.5030	0.000	1	111.5030	0.000	1	112.1025	0.719	2	112.1025	0.719	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(COO)(H)	112.7020	0.000	1	112.7020	0.000	1	112.1025	0.719	2	112.1025	0.719	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	108.9843	0.727	3	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	N(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	108.9843	0.727	3	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	C[5](C[5]N[5]CN)(N[5]C[5]C)(O)	N(C[5]C[5]N[5]C)(CCHH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	C[5](C[5]N[5]CN)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	N(C[5]C[5]N[5]C)(CCHH)(H)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.9843	0.727	3	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	111.8150	0.000	1	111.6990	0.027	2	111.9163	0.155	3	111.9163	0.155	3	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	111.5830	0.000	1	111.6990	0.027	2	111.9163	0.155	3	111.9163	0.155	3	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	N(C[5]C[5,6a]C[5]2)(COO)(H)	112.3510	0.000	1	112.3510	0.000	1	111.9163	0.155	3	111.9163	0.155	3	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:3:3:	4:3:2:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:N-2:	C[5]-4:C-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC)	N(C[5]C[6a]C[5]2)(CC[6a]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC){2|C<3>,4|H<1>}	N(C[5]C[6a]C[5]2)(CC[6a]HH)(H)	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,2|C<3>,2|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	112.8420	0.000	1	111.9390	1.631	2	111.9237	0.816	3	112.7420	1.803	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){2|H<1>,3|C<3>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	111.0360	0.000	1	111.9390	1.631	2	111.9237	0.816	3	112.7420	1.803	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	111.8930	0.000	1	111.8930	0.000	1	111.9237	0.816	3	112.7420	1.803	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	112.7420	1.803	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	3:4:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O)	N(C[5]C[5]2H)(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[5a]HH)(H)	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	112.7420	1.803	5	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:2:1:	3:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NC[6a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NC[6a]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){1|C<4>,3|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:2:1:	4:3:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(O)	N(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(O){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(COO)(H)	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:2:4:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:N[5]-2:C-4:	C[5]-4:S-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H)	C[5](C[5]C[5]HN)(N[5]N[5])(CH3)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]HN)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	3:4:4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	113.4305	1.736	2	113.4305	3.014	2	113.4305	3.014	2	113.4305	3.014	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:1:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(O)	N(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	N(C[5]C[5]2H)(H)2	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:S-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5]H)(H)	N(C[5]C[5,6]C[5]H)(SCO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HN)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[5]C[5,6]C[5]H)(SCO)(H)	113.5550	0.000	2	113.5550	0.000	2	113.5550	0.000	2	113.5550	0.000	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:4:1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:S-4:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	N(C[5]C[5,5]C[5]H)(SCOO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|N<3>,1|O<2>,2|H<1>}	N(C[5]C[5,5]C[5]H)(SCOO)(H)	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	110.8925	27.818	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:4:1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(SC[6a]OO)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	N(C[5]C[5]2H)(SC[6a]OO)(H)	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	110.8925	27.818	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:4:2:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(CC[6a]HH)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(OC)	110.7780	0.697	2	110.7780	0.486	2	110.7780	0.486	2	110.7780	0.486	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:1:	4:4:4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:S-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	N(C[5]C[5]2H)(SC[6a]OO)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H){3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){4|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)(CCCH)	112.1210	0.000	1	112.1210	0.000	1	112.1210	0.000	1	112.1210	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:1:	4:3:3:	4:4:4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:C-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H)	N(C[5]C[5]2H)(CC[6a]HH)2	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	N(C[5]C[5]2H)(CC[6a]HH)2	117.2585	2.924	2	117.2585	8.549	2	117.2585	8.549	2	117.2585	8.549	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:3:	4:3:2:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:N-3:H-1:	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN)	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5])	N(C[5]C[6a]C[5]2)(NNiC)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN){1|Ni<6>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5]){1|Ni<6>,4|H<1>,5|C<3>}	N(C[5]C[6a]C[5]2)(NNiC)(H)	111.0965	0.110	2	111.0965	0.012	2	111.0965	0.012	2	111.0965	0.012	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:3:	4:3:3:	3:4:1:	C[5]-4:C[5]-3:N-3:C-3:	C[5]-4:C[5]-3:C-3:	N[5a]-3:C[5]-4:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO)	C[5](C[5]C[5]CN)(C[5]O[5]C)(CCO)	N(N[5a]C[5a]N[5a])(C[5]C[5]2C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO){1|C<4>}	C[5](C[5]C[5]CN)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	N(N[5a]C[5a]N[5a])(C[5]C[5]2C)(H)	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:3:	4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-3:N-3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(O)	N(C[5]C[5]2C)(COO)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN){4|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(O){4|H<1>}	N(C[5]C[5]2C)(COO)(NCH)	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:3:	4:2:1:	4:1:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH)	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	N(C[5]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	N(C[5]C[5,6]C[5]C)(H)2	114.5325	1.173	2	114.5325	1.376	2	114.5325	1.376	2	114.5325	1.376	2	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:3:	4:3:3:	4:4:4:	Ge[4,5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C-4:C-4:	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC)	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC)	N(C[5]Ge[4,5]C[5]C)(CH3)2	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC){1|C<3>,3|N<3>}	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC){1|N<3>,1|W<9>,2|C<3>}	N(C[5]Ge[4,5]C[5]C)(CH3)2	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	956	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:3:	4:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O)	N(C[5]C[5]2C)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	N(C[5]C[5]2C)(CCHH)(H)	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	111.7621	7.131	86	111.7835	7.041	89
474	818	959	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:4:1:	4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-3:S[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5])	S[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	115.2565	7.499	6	115.2565	7.499	6
474	818	959	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:4:3:	4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-3:S[5]-4:S-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO)	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	S[5](C[5,5]C[5,5]C[5]S)(N[5]C[5])(O)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO){1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5]C[5,5]C[5]S)(N[5]C[5])(O)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>}	118.2135	1.771	2	118.2135	3.138	2	118.2135	3.138	2	118.2135	3.138	2	115.2565	7.499	6	115.2565	7.499	6
474	818	959	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:4:4:	4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-3:S[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO)	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	S[5](C[5,5]C[5,5]C[5]S)(N[5]C[5])(O)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO){1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5]C[5,5]C[5]S)(N[5]C[5])(O)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>}	115.9640	0.000	1	115.9640	0.000	1	115.9640	0.000	1	115.9640	0.000	1	115.2565	7.499	6	115.2565	7.499	6
474	818	959	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:1:	4:2:3:	4:2:1:1:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:N[5]-2:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(S[5]N[5]OO)(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]O[5])(COO)	S[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(O)2	C[5,5](C[5,5]C[6a]C[5]O[5])(S[5]N[5]OO)(C[5]N[5]C)(H){1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]O[5])(COO){1|N<2>,2|C<3>,2|O<1>}	S[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(O)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	115.2565	7.499	6	115.2565	7.499	6
474	818	959	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:1:	4:3:3:	3:4:1:1:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:O-1:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(O)2	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<2>,2|C<3>,3|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(O)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	115.2565	7.499	6	115.2565	7.499	6
474	818	959	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H)	S[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)2	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	S[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	99.5437	0.000	1	99.5437	0.000	1	99.5437	0.000	1	99.5437	0.000	1	99.8743	0.219	2	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:4:3:1:	4:3:4:	4:4:1:1:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3)	S[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	100.2050	0.000	1	100.2050	0.000	1	100.2050	0.000	1	100.2050	0.000	1	99.8743	0.219	2	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:4:4:	3:4:3:	3:4:1:1:	C[5,6]-4:C[5,6]-3:S[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH){1|C<2>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	104.0480	0.228	2	104.0480	0.052	2	104.0480	0.052	2	104.0480	0.052	2	104.0480	0.052	2	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5,6]	C[5]	S[5,6]	4:4:3:1:	4:3:1:	4:4:1:1:	S[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:O-1:	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H)	S[5,6](C[5,6]C[5]C[6]H)2(O)2	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[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>}	S[5,6](C[5,6]C[5]C[6]H)2(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	98.4728	0.137	2	98.4728	0.019	2	98.4728	0.019	2	98.4728	0.019	2	99.1282	0.580	4	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5,6]	C[5]	S[5,6]	4:4:3:1:	4:3:4:	4:4:1:1:	C[6]-4:S[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:O-1:	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	S[5,6](C[5,6]C[5]C[6]H)2(O)2	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[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>}	S[5,6](C[5,6]C[5]C[6]H)2(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	99.7835	0.046	2	99.7835	0.002	2	99.7835	0.002	2	99.7835	0.002	2	99.1282	0.580	4	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5,6]	C[5]	S[5]	4:4:4:3:	4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:S[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O-1:O-1:	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H)	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)2	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[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>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)2{2|C<4>,3|C<3>,3|H<1>}	99.9417	0.000	1	99.9417	0.000	1	99.9417	0.000	1	99.9417	0.000	1	99.9417	0.000	1	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	3:4:1:1:	3:4:4:	4:4:1:1:	C[5,6]-3:S[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)	S[5](C[5]C[5,6]HH)2(O)2	C[5](C[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH){2|C<3>,2|O<1>,4|H<1>}	S[5](C[5]C[5,6]HH)2(O)2{2|C<4>}	104.4325	1.234	2	104.4325	1.523	2	104.4325	1.523	2	104.4325	1.523	2	104.4325	1.523	2	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:3:1:	4:3:4:	4:3:1:1:	C[6a]-3:S[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:O-1:	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)2	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3){2|O<1>,3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)2{1|C<4>,1|H<1>,2|C<3>}	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.3801	0.312	9	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:1:1:	3:4:1:	4:4:1:1:	S[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]N[5]O)(H)2	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)2	C[5](S[5]C[5]OO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)2{1|C<4>,1|O<1>,2|C<3>}	103.2110	0.000	1	103.2110	0.000	1	103.2110	0.000	1	103.2110	0.000	1	103.3801	0.312	9	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:1:1:	3:4:3:	4:4:1:1:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-1:O-1:	C[5](S[5]C[5,6]OO)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]H)(C[5]S[5]HH)(COO)	S[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)2	C[5](S[5]C[5,6]OO)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,6]H)(C[5]S[5]HH)(COO){2|C<4>,2|O<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)2{2|C<4>,3|C<3>,3|H<1>}	102.0960	0.000	1	102.0960	0.000	1	102.0960	0.000	1	102.0960	0.000	1	103.3801	0.312	9	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:1:1:	4:3:4:	4:4:1:1:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	S[5](C[5]C[5]HH)2(O)2	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	S[5](C[5]C[5]HH)2(O)2{2|C<4>}	103.3937	0.120	4	103.3937	0.014	4	103.5800	0.103	6	103.5800	0.103	6	103.3801	0.312	9	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:1:1:	4:3:4:	4:4:1:1:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	S[5](C[5]C[5]HH)2(O)2	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	S[5](C[5]C[5]HH)2(O)2{2|C<4>}	103.7860	0.000	1	103.7860	0.000	1	103.5800	0.103	6	103.5800	0.103	6	103.3801	0.312	9	102.1792	4.685	20
474	818	959	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:1:1:	4:3:4:	4:4:1:1:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	S[5](C[5]C[5]HH)2(O)2	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	S[5](C[5]C[5]HH)2(O)2{2|C<4>}	104.1190	0.000	1	104.1190	0.000	1	103.5800	0.103	6	103.5800	0.103	6	103.3801	0.312	9	102.1792	4.685	20
474	818	960	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	N[5]	3:3:4:2:	4:4:2:	4:3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,5,6]-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[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)	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[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>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){1|Cl<1>,1|N<2>,2|H<1>,3|C<4>}	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:2:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:N[5]-2:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:2:3:	4:3:1:	3:4:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-3:C[5,5]-4:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	N[5](C[5,6]C[5,6]S[6])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,5|C<3>}	N[5](C[5,6]C[5,6]S[6])(C[5,5]C[5]3){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	109.0207	1.842	3	109.0207	3.394	3	109.0207	3.394	3	109.0207	3.394	3	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:2:3:	4:3:2:	3:4:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,5]-4:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,6]C[5,6]S[6])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]S[6])(C[5,5]C[5]3){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.3723	3.659	3	115.3723	13.387	3	115.3723	13.387	3	115.3723	13.387	3	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:2:4:	4:3:1:	4:3:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|N<3>,1|O<1>,4|C<3>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5])	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	N[5](C[5,5]C[5]3)(C[5]C[5]S)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]S){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:3:2:	4:3:2:	4:3:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]3)(C[5]C[5]S)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5]S){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.3680	0.000	1	108.3680	0.000	1	108.3715	0.000	2	108.3715	0.000	2	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.3750	0.000	1	108.3750	0.000	1	108.3715	0.000	2	108.3715	0.000	2	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	109.0610	0.000	2	109.0610	0.000	2	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	108.3650	0.086	2	108.3650	0.007	2	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.7370	0.000	1	110.7370	0.000	1	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	108.4920	0.033	3	109.2600	2.360	4	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	111.5640	0.000	1	109.2600	2.360	4	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.2900	0.000	1	107.2900	0.000	1	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<1>,1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	110.5680	0.000	1	110.5680	0.000	1	109.1352	1.637	11	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:3:	C[5]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	N[5](C[5,5]C[5]3)(C[5]C[5,5]S)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]){1|S<2>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5,5]S){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	109.0522	1.571	12	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	109.7080	0.000	1	109.7080	0.000	1	109.9727	0.902	4	109.8922	0.709	5	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.0610	1.143	3	110.0610	1.306	3	109.9727	0.902	4	109.8922	0.709	5	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.8922	0.709	5	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:3:2:	4:3:	C[5]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]3)(C[5]C[5,5]S)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]){1|S<2>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5]3)(C[5]C[5,5]S){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:3:2:	4:4:2:	4:3:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5]-3:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)(NO)	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5]){3|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)(NO){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|N<2>,3|C<3>,3|H<1>}	110.3597	0.808	3	110.3597	0.652	3	110.3597	0.652	3	110.3597	0.652	3	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:2:1:	4:3:1:	4:2:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O)	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:2:1:	4:4:1:	4:2:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H){1|B<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(O){1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]){1|B<4>,1|H<1>,1|O<1>,2|C<4>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:2:4:	4:2:1:	4:2:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH)	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH){1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O){1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	104.8830	0.000	1	104.8830	0.000	1	104.8830	0.000	1	104.8830	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:2:4:	4:2:1:	4:3:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	3:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3){2|O<1>,3|H<1>,5|C<3>}	111.6115	3.228	2	111.6115	10.420	2	111.6115	10.420	2	111.6115	10.420	2	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:2:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-2:N-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]S[5])(NCC)	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]N[5])	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]S[5])(NCC){1|N<2>,1|N<3>,1|S<3>,2|C<3>,2|O<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]N[5]){1|H<1>,1|N<2>,1|N<3>,1|S<3>,1|S<4>,2|C<3>}	106.9140	0.000	1	106.9140	0.000	1	106.9140	0.000	1	106.9140	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:3:3:	3:4:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO)	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O)	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O){1|N<2>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|N<3>,7|C<3>}	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:4:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O)	N[5](C[5,5]C[5]3)(C[5]N[5]N)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5,5]C[5]3)(C[5]N[5]N){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	114.1665	4.301	2	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:4:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]N)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]N[5]N){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	114.1665	4.301	2	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:4:2:	4:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-4:N[5]-2:	C[3,5]-4:C[5,5]-4:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5])	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O)	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.6835	0.288	2	110.6835	0.083	2	110.6835	0.083	2	110.6835	0.083	2	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:2:	C[5,6]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5])	C[5](C[5,5]C[5,6]C[5]N[5])(O[5]C[5,6])(O)	N[5](C[5,5]C[5,6]C[5]2)(N[5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6]C[5]N[5])(O[5]C[5,6])(O){1|N<2>,3|C<4>,4|H<1>}	N[5](C[5,5]C[5,6]C[5]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	105.5580	0.000	1	105.5580	0.000	1	105.5580	0.000	1	105.5580	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:4:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(O)	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	110.1479	6.938	49	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5,6]	C[5,6]	N[5]	3:3:3:2:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5](C[5,6]N[5a,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]C[5])(C[5]N[5]O){2|N<3>,3|C<3>}	109.4090	0.471	2	109.4090	0.222	2	109.4090	0.222	2	109.4090	0.222	2	109.4090	0.222	2	110.3851	8.901	53
474	818	960	0:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:3:1:	3:3:4:	3:4:	N[5]-3:N[5]-2:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H){1|Rh<6>,1|C<4>,4|C<3>}	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H){1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	110.3851	8.901	53
474	818	960	5:SP3_SP2_SP2	C[5,5,6]	C[5,5]	N[5]	3:3:4:2:	4:4:3:	4:3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-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[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)	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[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>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){1|Cl<1>,1|N<2>,2|H<1>,3|C<4>}	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	106.5105	1.166	2	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5,6]	C[5,5]	N[5]	4:3:4:2:	4:3:3:	4:3:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4: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[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[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[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>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){2|Br<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	106.5105	1.166	2	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	N[5,5]	5:2:3:3:	4:4:3:	4:4:	C[3,5,6]-5:N[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH)	C[5,6](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)	N[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO){1|Re<7>,2|C<4>,2|H<2>}	N[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C){1|Re<7>,2|C<3>,2|H<1>,2|H<2>}	96.8135	0.000	1	96.8135	0.000	1	96.8135	0.000	1	96.8135	0.000	1	96.8135	0.000	1	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5,5]	N[5]	3:3:4:2:	4:3:3:	4:2:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,2|C<4>,4|C<3>}	103.3640	0.000	1	103.3640	0.000	1	103.3640	0.000	1	103.5470	0.067	2	103.5470	0.067	2	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5,5]	N[5]	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>}	103.7300	0.000	1	103.7300	0.000	1	103.7300	0.000	1	103.5470	0.067	2	103.5470	0.067	2	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:2:3:	3:4:4:	3:4:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:C[5,5]-4:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	N[5](C[5,6]C[5,6]S[6])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	N[5](C[5,6]C[5,6]S[6])(C[5,5]C[5]3){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	106.5400	0.470	3	106.5400	0.221	3	106.5400	0.221	3	106.5400	0.221	3	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	N[5](C[5,5]C[5]3)(C[5]C[5]S)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	N[5](C[5,5]C[5]3)(C[5]C[5]S){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5]){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O){1|H<1>,5|C<3>}	105.4670	0.000	1	105.4670	0.000	1	105.4670	0.000	1	105.4670	0.000	1	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	3:4:4:2:	4:3:3:	4:3:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5,5]C[5]3)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	105.5800	0.471	2	105.5800	0.222	2	105.5800	0.222	2	105.5800	0.222	2	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:2:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-3:N[5]-2:O[5]-2:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6])	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H)	N[5](C[5,5]C[5,6]C[5]O[5])(C[5,5]C[5,5]N[5])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,6]C[5]O[5])(C[5,5]C[5,5]N[5]){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	104.1790	0.000	1	104.1790	0.000	1	104.1790	0.000	1	104.1790	0.000	1	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]N)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]N){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	106.3400	0.000	1	106.3400	0.000	1	105.9890	0.246	2	105.9890	0.246	2	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]N)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]N){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	105.6380	0.000	1	105.6380	0.000	1	105.9890	0.246	2	105.9890	0.246	2	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	103.7770	0.000	1	103.7770	0.000	1	103.7890	0.006	3	103.7890	0.006	3	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	103.7950	0.106	2	103.7950	0.011	2	103.7890	0.006	3	103.7890	0.006	3	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5,6]N[5])(O[5]C[5])(O)	N[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[6a]O[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]N[5])(O[5]C[5])(O){1|N<3>,3|C<3>,3|C<4>}	N[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[6a]O[5]){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	103.2110	0.000	1	103.2110	0.000	1	103.2110	0.000	1	103.6097	0.240	3	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5])(O)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]O[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	103.4620	0.000	1	103.4620	0.000	1	103.8090	0.241	2	103.6097	0.240	3	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5])(O)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]O[5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(N[5]C[5]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	104.1560	0.000	1	104.1560	0.000	1	103.8090	0.241	2	103.6097	0.240	3	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5]3)(C[5]N[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	105.6905	0.049	2	105.6905	0.002	2	105.2075	0.331	4	105.2075	0.331	4	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,5]	C[5]	N[5]	4:4:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]H)	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5]3)(C[5]N[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	104.7245	0.243	2	104.7245	0.059	2	105.2075	0.331	4	105.2075	0.331	4	105.1496	1.337	21	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5,6]	N[5]	3:4:2:4:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	N[5](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])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	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>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|H<1>}	104.4630	0.655	2	104.4630	0.429	2	104.4630	0.429	2	104.4630	0.429	2	103.8617	1.299	3	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5,6]	N[5]	4:3:3:2:	4:2:2:	4:3:	C[6]-4:C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6]-4:N[6]-2:O[5]-2:	C[5,6]-4:C[5]-3:	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[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5])	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C)	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[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>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C){1|H<1>,1|N<2>,4|C<3>}	102.6590	0.000	1	102.6590	0.000	1	102.6590	0.000	1	102.6590	0.000	1	103.8617	1.299	3	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	3:3:3:2:	4:2:3:	4:3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-4:N[5]-2:N-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	C[5](C[5,6]N[5a,6]C[5,6]N[5])(N[5]C[5])(NHH)	N[5](C[5,6]N[5a,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]N[5a,6]C[5,6]N[5])(N[5]C[5])(NHH){1|N<3>,1|O<2>,3|C<3>}	N[5](C[5,6]N[5a,6]C[5,6]C[5])(C[5]N[5]O){2|N<3>,3|C<3>}	101.9660	0.383	2	101.9660	0.147	2	101.9660	0.147	2	101.9660	0.147	2	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	104.2900	0.000	1	104.2900	0.000	1	104.3935	0.021	2	104.3935	0.021	2	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,5|C<3>}	104.4970	0.000	1	104.4970	0.000	1	104.3935	0.021	2	104.3935	0.021	2	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|I<1>,2|H<1>,3|C<3>}	105.1380	0.000	1	105.1380	0.000	1	105.1380	0.000	1	105.1380	0.000	1	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[5]-3:	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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	103.6660	0.107	2	103.6660	0.012	2	103.7110	0.096	7	103.7110	0.096	7	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[5]-3:	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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	103.6965	0.416	2	103.6965	0.173	2	103.7110	0.096	7	103.7110	0.096	7	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[5]-3:	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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	103.9400	0.000	1	103.9400	0.000	1	103.7110	0.096	7	103.7110	0.096	7	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:2:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5])	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]O[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[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	103.6560	0.573	2	103.6560	0.328	2	103.7110	0.096	7	103.7110	0.096	7	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:3:1:	4:2:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5])	C[5](C[5,6]C[6]2N[5])(C[5]N[5]H)(H)	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])	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[5](C[5,6]C[6]2N[5])(C[5]N[5]H)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5]C[6]2)(N[5]C[5]){2|C<4>,6|H<1>}	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	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[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){2|C<4>,3|C<3>,5|H<1>}	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	105.3480	0.006	2	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5,6]	C[5]	N[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	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[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)	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[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>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	105.3480	0.006	2	103.8248	1.123	15	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5,5]	N[5]	3:2:4:1:	4:4:3:	3:4:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	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>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	103.3340	0.000	1	103.3340	0.000	1	103.3340	0.000	1	103.3340	0.000	1	103.3145	0.001	2	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5,5]	N[5]	3:3:2:2:	4:4:3:	4:3:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a]){1|C<4>,5|C<3>}	103.2950	0.000	1	103.2950	0.000	1	103.2950	0.000	1	103.2950	0.000	1	103.3145	0.001	2	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	2:3:4:1:	4:2:1:	5:4:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	P[5,5]-5:C[5]-4:	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H){1|Cl<1>,1|N<2>,1|O<2>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|N<2>,1|O<2>}	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	103.8210	0.000	1	103.8210	0.000	1	103.9140	0.017	2	103.9140	0.017	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	2:3:4:1:	4:2:1:	5:4:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	P[5,5]-5:C[5]-4:	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|N<3>,1|O<2>}	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	104.0070	0.000	1	104.0070	0.000	1	103.9140	0.017	2	103.9140	0.017	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:N[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(O)	N[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(O){1|H<1>,1|N<3>,2|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]N){1|C<4>,1|O<1>}	106.8290	0.000	1	106.8290	0.000	1	106.8895	0.134	4	106.8895	0.134	4	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:N[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(O)	N[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(O){1|N<3>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,1|O<1>}	106.9097	0.446	3	106.9097	0.199	3	106.8895	0.134	4	106.8895	0.134	4	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	4:2:3:	3:4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-3:C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHH)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]C)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHH){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){3|C<3>}	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	4:2:3:	4:3:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]2)	N[5](C[5]C[5]HH)(C[5]O[5]C)	C[5](C[5]O[5]C)(N[5]C[5])(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]2){1|C<4>}	N[5](C[5]C[5]HH)(C[5]O[5]C){1|C<3>}	104.4450	0.000	1	104.4450	0.000	1	104.4450	0.000	1	110.0072	7.456	6	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	4:2:3:	4:3:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]S[5]C)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHH)	N[5](C[5]C[5]HH)(C[5]S[5]N)	C[5](C[5]S[5]C)(N[5]C[5])(H)2{1|N<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(CHH){1|N<3>}	N[5](C[5]C[5]HH)(C[5]S[5]N){1|C<3>}	111.1196	0.196	5	111.1196	0.038	5	111.1196	0.038	5	110.0072	7.456	6	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	4:4:1:	4:3:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]H)(N[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O){3|H<1>}	103.2340	0.000	1	103.2340	0.000	1	103.2340	0.000	1	103.2340	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	4:4:3:	3:4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5])(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]C)(N[5]C[5])(H)2{3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH){3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH){5|C<3>}	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:1:1:	4:4:3:	4:2:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-2:	C[5](C[5]C[5]C)(N[5]N[5])(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	N[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	N[5](C[5]C[5]HH)(N[5]C[5]){1|C<4>,2|C<3>}	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:1:	3:4:1:	4:3:	C[5]-3:N[5]-2:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	N[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H){1|C<3>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|S<2>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]S){1|C<3>,1|O<1>}	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:1:	4:2:1:	4:3:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|O<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O){1|O<1>}	100.3620	0.000	1	100.3620	0.000	1	100.3620	0.000	1	100.3620	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:2:	4:2:1:	3:4:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:S[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	C[5](C[5]N[5]CO)(S[5]C[5])(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	C[5](C[5]N[5]CO)(S[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:2:	4:3:4:	4:3:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	N[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	N[5](C[5]C[5]CO)(C[5]C[5]C){2|C<4>}	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:3:	4:2:1:	3:4:	C[5]-3:N[5]-2:C-4:C-3:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	103.3715	0.651	2	103.3715	0.424	2	103.3715	0.424	2	103.3715	0.424	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2{2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,3|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC){1|N<3>,1|O<1>,3|C<4>}	104.6650	0.000	1	104.6650	0.000	1	104.6650	0.000	1	104.6650	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	3:4:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|N<3>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<3>,1|O<1>}	104.7580	0.000	1	104.7580	0.000	1	104.7580	0.000	1	104.7580	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:2:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	103.5870	0.000	1	103.5870	0.000	1	103.5870	0.000	1	103.5870	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:2:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2{1|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	102.9900	0.000	1	102.9900	0.000	1	102.9900	0.000	1	102.9900	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:2:3:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:	C[5]-3:C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2	C[5](C[5]N[5]CC)(O[5]C[5])(CCH)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2{1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(CCH){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){3|C<3>}	102.2360	0.000	1	102.2360	0.000	1	102.2360	0.000	1	102.2360	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:3:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(O){1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC){1|Cu<5>,1|C<3>,1|N<3>,1|O<1>}	103.4560	0.000	1	103.4560	0.000	1	103.1192	0.508	5	103.1192	0.508	5	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:3:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	102.6460	0.195	3	102.6460	0.038	3	103.1192	0.508	5	103.1192	0.508	5	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:3:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	104.2020	0.000	1	104.2020	0.000	1	103.1192	0.508	5	103.1192	0.508	5	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	N[5](C[5]C[5]CC)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|S<1>}	N[5](C[5]C[5]CC)(C[5]N[5]S){1|H<1>,1|O<1>}	100.1890	0.000	1	100.1890	0.000	1	100.7994	0.160	5	100.7994	0.160	5	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|O<1>}	100.9520	0.240	4	100.9520	0.058	4	100.7994	0.160	5	100.7994	0.160	5	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:2:4:4:	4:3:4:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	N[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,1|H<1>}	104.9930	0.000	1	104.9930	0.000	1	104.9930	0.000	1	104.9930	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:2:2:	4:3:2:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	102.4080	0.000	1	102.4080	0.000	1	102.6034	0.149	7	102.6034	0.149	7	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:2:2:	4:3:2:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	102.6360	0.412	6	102.6360	0.170	6	102.6034	0.149	7	102.6034	0.149	7	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:2:4:	4:2:1:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:S[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	C[5](C[5]C[6a]N[5]C)(S[5]C[5])(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(S[5]C[5])(O){3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5]){1|O<1>,4|C<3>}	108.9293	0.339	3	108.9293	0.115	3	108.9293	0.115	3	108.9293	0.115	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	105.0100	0.274	2	105.0100	0.075	2	104.9710	0.042	3	104.9710	0.042	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	104.8930	0.000	1	104.8930	0.000	1	104.9710	0.042	3	104.9710	0.042	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|C<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H){1|C<1>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|H<1>,1|O<2>,4|C<3>}	105.2210	0.000	1	105.0155	0.084	2	105.0155	0.084	2	103.7057	5.772	4	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H){5|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|H<1>,1|O<2>,4|C<3>}	104.8100	0.000	1	105.0155	0.084	2	105.0155	0.084	2	103.7057	5.772	4	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|S<2>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S){1|C<4>,1|O<1>,4|C<3>}	104.6730	0.000	1	104.6730	0.000	1	102.3960	10.369	2	103.7057	5.772	4	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O){1|N<3>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]N){1|H<1>,1|O<1>,4|C<3>}	100.1190	0.000	1	100.1190	0.000	1	102.3960	10.369	2	103.7057	5.772	4	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:2:	4:3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	101.5830	0.000	1	101.7670	0.068	2	101.7670	0.068	2	102.2930	0.864	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:2:	4:3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	101.9510	0.000	1	101.7670	0.068	2	101.7670	0.068	2	102.2930	0.864	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:2:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC)	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5]){5|C<3>,5|H<1>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC){5|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,6|C<3>}	103.3450	0.000	1	103.3450	0.000	1	103.3450	0.000	1	102.2930	0.864	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5])	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|H<1>,5|C<3>}	104.4700	0.000	1	104.4700	0.000	1	104.4700	0.000	1	104.4700	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO)	N[5](C[5]C[6a]2C[5])(P[5]C[5]CC)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO){2|C<4>,4|C<3>}	N[5](C[5]C[6a]2C[5])(P[5]C[5]CC){6|C<3>}	107.3940	0.000	1	107.3940	0.000	1	107.6865	0.171	2	107.6865	0.171	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO)	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){4|H<1>,7|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO){6|C<3>}	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5]){10|C<3>}	107.9790	0.000	1	107.9790	0.000	1	107.6865	0.171	2	107.6865	0.171	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:1:	3:4:1:	4:3:	C[5]-3:C-4:N[5]-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	N[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|S<2>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]S){1|C<3>,1|O<1>}	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:1:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|O<1>,2|C<3>}	104.2420	0.000	1	104.2420	0.000	1	104.2420	0.000	1	104.2420	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	N[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]C){1|N<2>,1|O<1>}	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:2:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:C-2:	C[5]-4:S[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC)	C[5](C[5]N[5]CC)(S[5]C[5])(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC){1|C<3>}	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	106.8680	14.151	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:2:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:S-2:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC)	C[5](C[5]N[5]CS)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CS)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC){1|C<3>}	C[5](C[5]N[5]CS)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CS){1|O<1>,2|C<3>}	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	106.8680	14.151	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:3:	4:4:3:	4:2:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-2:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	N[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	104.0550	0.000	1	104.0550	0.000	1	104.0550	0.000	1	104.0550	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:3:	4:4:3:	4:3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH)	N[5](C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH){1|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>}	105.1730	0.000	1	105.1730	0.000	1	105.1730	0.000	1	105.1730	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	102.5150	0.000	1	102.5150	0.000	1	103.6606	0.206	12	103.6606	0.206	12	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	103.7724	0.336	8	103.7724	0.113	8	103.6606	0.206	12	103.6606	0.206	12	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,1|O<2>}	103.8860	0.000	1	103.8860	0.000	1	103.6606	0.206	12	103.6606	0.206	12	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	103.6735	0.110	2	103.6735	0.012	2	103.6606	0.206	12	103.6606	0.206	12	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:4:	4:2:1:	4:3:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	103.6675	0.104	2	103.6675	0.011	2	103.6675	0.011	2	105.6147	11.380	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:2:4:	4:2:1:	4:3:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:S[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C[5](C[5]N[5]CC)(S[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]S[5]S)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|S<2>}	N[5](C[5]C[5]CC)(C[5]S[5]S){1|O<1>}	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	105.6147	11.380	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:4:2:	3:4:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5]){1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|N<3>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<3>,1|O<1>}	101.4650	0.000	1	101.4650	0.000	1	101.4650	0.000	1	101.4650	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:4:2:	4:2:1:	3:4:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	103.8840	0.240	2	103.8840	0.058	2	103.8840	0.058	2	103.8840	0.058	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:4:2:	4:2:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:S[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C[5](C[5]N[5]CC)(S[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]S[5]O)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|O<2>}	N[5](C[5]C[5]CC)(C[5]S[5]O){1|O<1>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	3:4:4:2:	4:3:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|N<3>}	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<4>,1|O<1>}	101.7180	0.000	1	101.7180	0.000	1	101.7180	0.000	1	101.7180	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	4:3:2:4:	4:2:1:	4:3:	C[6]-4:C[5]-3:N[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|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>}	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	103.8400	0.189	3	103.8400	0.036	3	103.8400	0.036	3	103.8400	0.036	3	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	4:3:3:2:	4:2:1:	4:3:	C[5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[5](C[5]C[6a]C[5]N[5])(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]2)(C[5]C[6a]O[5])	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]N[5])(O[5]C[5])(O){1|N<2>,5|C<3>}	N[5](C[5]C[6a]C[5]2)(C[5]C[6a]O[5]){1|N<2>,1|O<1>,6|C<3>}	104.0075	0.043	2	104.0075	0.002	2	104.0075	0.002	2	104.0075	0.002	2	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	4:3:4:2:	4:2:1:	3:4:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]2C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	103.5690	0.000	1	103.5690	0.000	1	103.5690	0.000	1	103.5690	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	960	5:SP3_SP2_SP2	C[5]	C[5]	N[5]	4:3:4:2:	4:2:1:	4:3:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]2C)(C[5]O[5]C)	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5]C[5]2C)(C[5]O[5]C){1|N<3>,1|O<1>,2|C<3>}	103.1950	0.000	1	103.1950	0.000	1	103.1950	0.000	1	103.1950	0.000	1	104.5526	6.747	95	104.4905	5.496	141
474	818	969	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	3:3:3:4:	4:3:4:	4:4:1:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:Cl-1:	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	Ga(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	Ga(C[5]C[5]2C)2(Cl)	104.8588	6.115	4	104.8588	37.397	4	104.8588	37.397	4	104.8588	37.397	4	97.6576	135.859	8	97.6576	135.859	8
474	818	969	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	3:3:3:4:	4:3:4:	4:4:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C-4:	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	Ga(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	Ga(C[5]C[5]2C)2(CH3)	90.4563	11.888	4	90.4563	141.318	4	90.4563	141.318	4	90.4563	141.318	4	97.6576	135.859	8	97.6576	135.859	8
474	818	974	5:SP3_SP2_SP2	C[5]	C[5]	As[5]	3:2:1:1:	4:3:3:	4:4:	C[5]-3:As[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:	P[5]-4:C[5]-4:	C[5](C[5]C[5]N)(As[5]P[5])(H)2	C[5](C[5]As[5]HH)(C[5]P[5]C)(NC[6a]H)	As[5](P[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]N)(As[5]P[5])(H)2{3|C<3>}	C[5](C[5]As[5]HH)(C[5]P[5]C)(NC[6a]H){2|C<3>}	As[5](P[5]C[6a]2C[5])(C[5]C[5]HH){1|N<3>,5|C<3>}	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1
474	818	975	0:SP3_SP2_SP3	C[5,6]	C[5]	Se[6]	3:2:3:4:	4:3:4:	4:3:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]){1|Se<2>,3|C<4>,4|C<3>}	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1
474	818	975	6:SP3_SP2_SP3	C[5,6]	C[5,6]	Se[6]	3:2:3:4:	4:2:3:	4:3:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:Se[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]){1|Se<2>,3|C<4>,4|C<3>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1
474	818	976	0:SP3_SP2_SP2	C[3x5]	C[5]	O[5]	4:3:4:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[5,5]-4:O[5]-2:	C[3x5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-3:	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5])	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]C)	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	110.5597	7.427	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[3x5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[3x5]-4:N[5]-3:O-1:	C[3x5]-4:C[5]-3:	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5])	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]C)(O)	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]C)	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]C)(O){2|C<3>,2|C<4>,4|H<1>}	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]C){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	110.5597	7.427	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[3x5]	C[5]	O[5]	4:4:3:2:	4:3:4:	4:3:	C[5,6,6]-4:C[3x5]-4:C[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C-4:	C[3x5]-4:B[5]-3:	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5])	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3)	O[5](C[3x5]C[5,6,6]C[3x5]C[5])(B[5]O[5]C)	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5]){2|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3){1|B<3>,1|H<1>,3|C<4>,3|O<2>}	O[5](C[3x5]C[5,6,6]C[3x5]C[5])(B[5]O[5]C){1|C<3>,1|O<2>,5|C<4>}	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	110.5597	7.427	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	O[5]	3:4:2:4:	4:4:3:	4:3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	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)	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a,6a]C[5,6a])	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){2|C<3>,4|C<4>,4|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>}	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,4|C<3>,5|C<4>}	105.8870	0.000	1	105.5243	0.172	3	105.5243	0.172	3	105.5243	0.172	3	105.5243	0.172	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	O[5]	3:4:2:4:	4:4:3:	4:3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	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)	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a,6a]C[5,6a])	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){3|C<3>,3|C<4>,4|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>}	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,4|C<3>,5|C<4>}	105.3430	0.383	2	105.5243	0.172	3	105.5243	0.172	3	105.5243	0.172	3	105.5243	0.172	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	O[5]	4:3:4:2:	4:3:4:	4:3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	105.6690	0.000	1	105.6690	0.000	1	105.6690	0.000	1	105.6690	0.000	1	105.6690	0.000	1	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[3x5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:	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[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H)	O[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.6420	0.509	2	109.6420	0.259	2	109.6420	0.259	2	109.6420	0.259	2	109.6420	0.259	2	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:3:3:	4:3:2:	3:4:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN){1|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|Cl<1>,1|C<2>,1|O<1>,5|C<3>}	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:3:3:	4:3:3:	3:4:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|Cl<1>,1|C<2>,1|O<1>,5|C<3>}	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:2:	3:4:1:	4:3:	C[5]-3:O[5]-2:C[5]-4:O[5]-2:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5a]O)(O[5]C[5,5a])(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5,5a]O)(O[5]C[5,5a])(C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O){3|C<3>,3|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|H<1>,2|O<1>,2|O<2>,4|C<3>}	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:3:	4:3:3:	3:4:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:2:	3:4:1:	3:4:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|H<1>,2|O<1>,4|C<3>}	111.1443	2.922	7	111.1443	8.539	7	111.1443	8.539	7	111.1443	8.539	7	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:2:	3:4:3:	4:3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){5|C<3>}	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]C)2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]N)	C[5,5](C[5]C[5]C)2(O[5]C[5])2{2|C<3>,2|N<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO){1|N<2>,3|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]N){5|C<3>}	109.0440	0.160	2	109.0440	0.026	2	109.0440	0.026	2	109.0440	0.026	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:3:	4:3:1:	3:4:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:I-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I){7|C<3>}	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O){1|I<1>,5|C<3>}	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]N)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.9380	0.000	1	108.9380	0.000	1	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.1410	0.000	1	108.1410	0.000	1	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|O<1>,2|N<3>,3|C<3>}	106.1150	1.146	2	106.1150	1.312	2	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	109.8280	0.000	1	109.8280	0.000	1	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	111.1810	1.130	2	111.1810	1.277	2	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>}	108.8750	0.000	1	108.0847	0.485	3	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	107.6895	0.180	2	108.0847	0.485	3	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O){1|N<3>,1|O<1>,3|C<3>}	106.1770	0.000	1	106.1770	0.000	1	108.3573	3.708	11	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O){2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,4|C<3>}	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.3478	2.858	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H){1|N<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]){7|C<3>}	112.5675	2.075	2	112.5675	4.307	2	112.5675	4.307	2	112.5675	4.307	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	3:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	O[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	106.2800	2.236	5	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	3:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.2955	1.726	4	106.2955	2.980	4	106.2955	2.980	4	106.2800	2.236	5	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	105.9930	0.000	1	107.0475	2.224	2	106.8570	0.877	4	106.8570	0.877	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	108.1020	0.000	1	107.0475	2.224	2	106.8570	0.877	4	106.8570	0.877	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	106.6665	0.513	2	106.6665	0.263	2	106.8570	0.877	4	106.8570	0.877	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:2:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	108.3430	0.977	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:2:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)(O)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	108.3430	0.977	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	105.7520	0.000	1	105.7520	0.000	1	105.9463	0.110	3	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	105.7580	0.000	1	105.7580	0.000	1	105.9463	0.110	3	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]){1|C<2>,1|N<3>,1|O<1>,6|C<3>}	106.3290	0.000	1	106.3290	0.000	1	105.9463	0.110	3	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	108.3825	0.491	2	108.3825	0.242	2	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.1740	0.000	1	107.1740	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	105.9530	0.000	1	107.6900	6.034	2	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.4270	0.000	1	107.6900	6.034	2	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	106.9450	0.713	2	106.9450	0.508	2	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.5360	0.000	1	106.5360	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.5340	0.000	1	108.5340	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]N)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]N){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	104.0660	0.000	1	104.0660	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.3040	0.000	1	107.8941	2.299	12	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.1630	0.000	1	107.8941	2.299	12	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.9382	1.509	9	107.8941	2.299	12	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.8180	0.000	1	107.8941	2.299	12	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	106.6670	0.000	1	106.6670	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	105.1190	0.000	1	105.1190	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.1160	0.000	1	111.1160	0.000	1	107.5990	2.886	25	107.4220	2.845	28	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:2:	4:2:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a])	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|N<2>,3|H<1>,6|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	114.1970	0.000	2	114.1970	0.000	2	114.1970	0.000	2	114.1970	0.000	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:4:2:	4:3:2:	4:2:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5])	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	O[5](C[5,5]C[5]3)(N[5]C[5]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){3|H<1>,4|C<3>}	111.3210	1.317	2	111.5650	1.045	3	111.5650	1.045	3	111.5650	1.045	3	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	112.0530	0.000	1	111.5650	1.045	3	111.5650	1.045	3	111.5650	1.045	3	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:2:	4:3:3:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH){1|C<4>,1|O<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:2:4:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	110.9280	0.000	1	110.9280	0.000	1	111.9908	4.031	4	111.9908	4.031	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:2:4:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	111.8820	0.000	1	111.8820	0.000	1	111.9908	4.031	4	111.9908	4.031	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:2:4:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	110.3110	0.000	1	110.3110	0.000	1	111.9908	4.031	4	111.9908	4.031	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:2:4:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	114.8420	0.000	1	114.8420	0.000	1	111.9908	4.031	4	111.9908	4.031	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO)	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]N)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]N){1|C<4>,3|C<3>,3|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	109.4100	3.106	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	109.4100	3.106	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	108.6890	0.000	1	108.6890	0.000	1	108.6587	0.393	4	109.4100	3.106	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	109.1420	0.000	1	109.1420	0.000	1	108.6587	0.393	4	109.4100	3.106	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	108.4020	0.902	2	108.4020	0.814	2	108.6587	0.393	4	109.4100	3.106	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:3:	4:4:1:	3:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	3:4:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5]){1|Ni<5>,1|N<3>,2|H<1>,3|C<3>}	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]S[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]S[5]C)(O){1|C<3>,1|H<1>,1|N<2>,2|O<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){1|C<4>,2|C<3>,2|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	111.2050	1.700	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	111.2160	0.000	1	111.2160	0.000	1	110.8698	1.282	5	111.2050	1.700	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.8790	0.000	1	108.8790	0.000	1	110.8698	1.282	5	111.2050	1.700	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|N<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	111.1700	0.000	1	111.4180	0.072	3	110.8698	1.282	5	111.2050	1.700	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.5420	0.226	2	111.4180	0.072	3	110.8698	1.282	5	111.2050	1.700	6	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	112.1100	1.130	2	112.1100	1.277	2	112.1100	1.277	2	112.1100	1.277	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CHH)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O){1|C<3>,1|N<3>,2|C<4>}	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:4:	4:3:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){1|C<4>,1|O<2>,4|C<3>}	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:1:	4:3:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]O)(O[5]C[5])(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]O)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){1|H<1>,1|O<1>,4|C<4>}	111.6755	0.353	2	111.6755	0.125	2	111.6755	0.125	2	111.6755	0.125	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2){1|O<2>,2|C<3>,2|N<2>,4|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	3:4:1:	4:2:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	O[5](C[5,5]C[5]2S[5])(N[5]C[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5]2S[5])(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	105.5905	1.928	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	3:4:1:	4:2:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	O[5](C[5,5]C[5]2S[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5]2S[5])(N[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	105.2217	1.441	3	105.2217	2.076	3	105.2217	2.076	3	105.5905	1.928	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	3:4:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:2:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O)	O[5](C[5,5]C[5]2S[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5]2S[5])(N[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:3:	4:3:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.3220	0.000	1	109.3220	0.000	1	106.4875	4.571	4	106.4875	4.571	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:3:	4:3:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	105.5427	1.225	3	105.5427	1.500	3	106.4875	4.571	4	106.4875	4.571	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:3:	4:3:2:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:3:	4:3:3:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.9730	0.436	2	108.9730	0.190	2	108.9730	0.190	2	108.9730	0.190	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[3x5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H)	O[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]O)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:3:	3:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C){1|H<1>,6|C<3>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	3:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,3|H<1>,5|C<3>}	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	105.7825	23.331	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	3:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){3|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,3|H<1>,5|C<3>}	102.3670	0.000	1	102.3670	0.000	1	102.3670	0.000	1	105.7825	23.331	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	3:4:1:	4:2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|N<2>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	106.4650	0.000	1	106.4650	0.000	1	106.4650	0.000	1	106.4650	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3){1|H<1>,1|O<2>,2|C<4>,2|O<1>,3|C<3>}	112.3920	0.000	1	111.4735	1.687	2	110.9377	3.069	4	110.9377	3.069	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3){1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	110.5550	0.000	1	111.4735	1.687	2	110.9377	3.069	4	110.9377	3.069	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5]C[5a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[5a]C[5])(C[5,5]C[5]3){1|C<3>,1|H<1>,2|C<4>,2|O<1>,3|O<2>}	110.4020	2.524	2	110.4020	6.372	2	110.9377	3.069	4	110.9377	3.069	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5]3)(C[5]C[5]H)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:N-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC)	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,1|N<3>,1|S<4>,3|C<3>}	108.1330	0.000	1	108.1330	0.000	1	108.5340	0.666	4	108.5340	0.666	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:N-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC)	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC){1|N<2>,1|S<3>,2|O<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,1|S<3>,1|S<4>,3|C<3>}	109.1330	0.696	2	108.6677	0.892	3	108.5340	0.666	4	108.5340	0.666	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:N-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC)	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC){1|N<2>,1|S<4>,2|O<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,2|S<4>,3|C<3>}	107.7370	0.000	1	108.6677	0.892	3	108.5340	0.666	4	108.5340	0.666	4	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:2:4:	4:3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3){1|O<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.9150	1.028	4	108.0573	2.371	7	108.0573	2.371	7	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	108.2470	2.331	3	108.0573	2.371	7	108.0573	2.371	7	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]C[6a]N[5])(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]C[6a]N[5])(O){1|C<4>,6|C<3>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]C[5])(O)	O[5](C[5,5]C[5]3)(C[5]C[5]H)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]C[5])(O){2|H<1>,2|O<1>,4|C<3>}	O[5](C[5,5]C[5]3)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	109.2910	0.373	2	109.2910	0.139	2	110.1713	2.395	3	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]C)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[5](C[5,5]C[5]3)(C[5]C[5]C){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	111.9320	0.000	1	111.9320	0.000	1	110.1713	2.395	3	108.8859	2.870	14	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	107.6730	0.000	1	107.6730	0.000	1	108.0090	0.768	5	108.0090	0.768	5	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	108.9450	0.000	2	108.9450	0.000	2	108.0090	0.768	5	108.0090	0.768	5	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,7|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	107.2410	0.168	2	107.2410	0.028	2	108.0090	0.768	5	108.0090	0.768	5	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:4:1:	4:2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.6550	0.000	1	108.4700	1.328	2	108.4700	1.328	2	108.4700	1.328	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:4:1:	4:2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|O<1>,3|C<4>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	109.2850	0.000	1	108.4700	1.328	2	108.4700	1.328	2	108.4700	1.328	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:4:2:	4:4:1:	4:2:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2O[5])(O)	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2O[5])(O){1|C<4>,1|N<2>,1|N<3>,5|C<3>,6|H<1>}	O[5](C[5,5]C[5]3)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	102.9690	0.000	1	102.9690	0.000	1	104.6387	2.091	3	104.6387	2.091	3	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:4:2:	4:4:1:	4:2:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[5](C[5,5]C[5]2O[5])2(O)	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])2(O){2|N<2>,4|C<3>,6|H<1>}	O[5](C[5,5]C[5]3)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	105.4735	0.006	2	105.4735	0.000	2	104.6387	2.091	3	104.6387	2.091	3	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	3:4:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a]){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,4|C<3>,5|H<1>}	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	3:4:1:	4:2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<2>,3|H<1>,5|C<3>}	O[5](C[5,5]C[5]3)(N[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	100.9990	0.000	1	100.9990	0.000	1	100.9990	0.000	1	100.9990	0.000	1	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(N[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	102.0690	0.000	1	102.0690	0.000	1	103.8265	6.178	2	103.8265	6.178	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|N<2>,2|C<3>,5|H<1>}	O[5](C[5,5]C[5]3)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	105.5840	0.000	1	105.5840	0.000	1	103.8265	6.178	2	103.8265	6.178	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5,5])(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5,5])(O){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	103.4360	0.000	1	103.4360	0.000	1	105.9140	12.281	2	105.9140	12.281	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5,5])(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5,5])(O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	108.3920	0.000	1	108.3920	0.000	1	105.9140	12.281	2	105.9140	12.281	2	108.6098	6.936	163	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5,6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	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)	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,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>}	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]O){2|C<3>,3|C<4>}	109.8585	0.385	2	109.8585	0.149	2	109.8585	0.149	2	109.8585	0.149	2	108.5963	4.853	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:2:4:	4:4:3:	3:4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	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)	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|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>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2C){2|C<3>,2|H<1>,4|C<4>}	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	108.5963	4.853	3	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	4:4:3:	4:3:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){1|C<3>,3|C<4>}	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O){4|C<3>}	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	107.9017	0.363	3	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<3>,2|H<1>}	108.0395	0.783	2	108.0395	0.613	2	108.0395	0.613	2	107.9017	0.363	3	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	112.2690	0.331	5	112.2690	0.110	5	112.2690	0.110	5	112.2690	0.110	5	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:2:3:4:	4:3:3:	3:4:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2{2|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){2|C<3>,2|N<3>,3|H<1>}	104.6410	0.000	1	104.6410	0.000	1	104.6410	0.000	1	104.6410	0.000	1	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	109.3940	0.000	1	109.3940	0.000	1	110.0905	0.970	2	110.0905	0.970	2	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	110.7870	0.000	1	110.7870	0.000	1	110.0905	0.970	2	110.0905	0.970	2	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	111.4890	0.000	1	111.4890	0.000	1	111.0976	1.129	5	111.0976	1.129	5	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	110.5050	0.000	1	110.4020	0.018	3	111.0976	1.129	5	111.0976	1.129	5	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,2|C<4>,5|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	110.3505	0.139	2	110.4020	0.018	3	111.0976	1.129	5	111.0976	1.129	5	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	112.7930	0.000	1	112.7930	0.000	1	111.0976	1.129	5	111.0976	1.129	5	110.2039	5.202	17	108.7285	6.928	192
474	818	976	0:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5]	4:3:3:2:	4:4:1:	4:4:	C[3x5,6]-4:C[5,6]-3:N[5,5]-3:O[5]-2:	C[3x5,6]-4:C[5,5,6]-4:O-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5])	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(O)	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(O){1|S<4>,2|H<1>,6|C<4>}	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH){1|O<1>,1|S<4>,2|H<1>,4|C<4>}	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	110.0225	0.468	2	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5]	4:3:4:2:	4:3:2:	4:4:	C[3x5,6]-4:C[5,6]-3:C[5,5]-4:O[5]-2:	C[3x5,6]-4:C[6]-3:O[5]-2:	C[3x5,6]-4:C[5,6]-4:	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6])	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5])	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,8|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5]){1|H<1>,1|O<1>,7|C<4>}	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	110.0225	0.468	2	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5,6]	C[5]	O[5,6]	4:4:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-3:	C[3x5,6]-4:C[5]-3:C-3:	C[3x5,6]-4:C[5,6]-4:	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]O[5,6])(C[5]O[5]O)(CCO)	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C)	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,5]O[5,6])(C[5]O[5]O)(CCO){3|C<3>,3|C<4>}	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	112.8670	0.597	2	112.8670	0.356	2	112.8670	0.356	2	112.8670	0.356	2	112.8670	0.356	2	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5,6]	C[5]	O[5]	4:4:3:2:	4:4:1:	4:4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[3x5,6]-4:C[5]-4:O-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[3x5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(O[5]C[5])	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,6]HO)(O)	O[5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]O[5]CC)	C[3x5,6](C[3x5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,6]HO)(O){1|O<2>,3|C<3>,4|C<4>}	O[5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]O[5]CC){1|O<1>,2|C<3>,4|C<4>}	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5]	C[5]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-4:	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	110.9644	0.984	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5]	C[5]	O[5]	4:3:3:2:	4:3:4:	4:4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:Si-4:	C[3x5]-4:C[5]-4:	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5])	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5]H)(SiC3)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5]){1|O<1>,7|H<1>}	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5]H)(SiC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.7615	0.322	2	111.7615	0.104	2	111.7615	0.104	2	111.7615	0.104	2	110.9644	0.984	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5]	C[5]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[4x5]-4:C[5,5]-4:O[5]-2:C[5]-3:	C[3x5]-4:O[5]-2:O-1:	C[3x5]-4:C[5,5]-4:	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]C[5,5]C[5]O)(O[5]C[5,5])(C[5]O[5]O)	C[5](C[3x5]C[4x5]C[5,5]O[5])(O[5]C[5,5])(O)	O[5](C[3x5]C[4x5]C[5,5]C[5])(C[5,5]C[3x5]O[5]H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]C[5,5]C[5]O)(O[5]C[5,5])(C[5]O[5]O){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[3x5]C[4x5]C[5,5]O[5])(O[5]C[5,5])(O){1|H<1>,1|O<2>,6|C<4>}	O[5](C[3x5]C[4x5]C[5,5]C[5])(C[5,5]C[3x5]O[5]H){1|C<3>,1|O<1>,2|O<2>,6|C<4>}	109.7305	1.315	2	109.7305	1.728	2	109.7305	1.728	2	109.7305	1.728	2	110.9644	0.984	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5]	C[5]	O[5]	4:4:3:2:	3:4:1:	4:4:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	N[5,5a]-3:C[3x5]-4:O-1:	C[3x5]-4:C[5]-4:	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O)	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC)	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	110.9644	0.984	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[3x5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[3x5]-4:N[5]-3:O-1:	C[3x5]-4:C[5]-4:	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5])	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]H)(O)	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC)	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.8200	0.000	2	110.8200	0.000	2	110.8200	0.000	2	110.8200	0.000	2	110.9644	0.984	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	4:2:3:2:	4:4:3:	4:4:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	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])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,6]2O[5])	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|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>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,6]2O[5]){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:2:3:2:	4:4:3:	4:4:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	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])	O[5](C[5,5,6]C[5,6]2O[5,6])(C[5,5]C[5,5,6]C[5]O)	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|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>}	O[5](C[5,5,6]C[5,6]2O[5,6])(C[5,5]C[5,5,6]C[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH){1|O<1>,3|C<4>,3|H<1>}	111.9410	0.000	1	111.5820	0.266	3	111.0691	0.569	8	111.0691	0.569	8	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH){1|O<1>,3|C<4>,3|H<1>}	111.4025	0.582	2	111.5820	0.266	3	111.0691	0.569	8	111.0691	0.569	8	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<4>}	110.8800	0.000	1	110.7614	0.547	5	111.0691	0.569	8	111.0691	0.569	8	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	111.0860	1.123	2	110.7614	0.547	5	111.0691	0.569	8	111.0691	0.569	8	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<4>}	110.3775	0.640	2	110.7614	0.547	5	111.0691	0.569	8	111.0691	0.569	8	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:3:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O[5]H)	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2{1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O[5]H){1|H<1>,2|C<3>,5|C<4>}	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:4:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]O[5])(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Br<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]O[5])(O){1|Br<1>,2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Br<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	112.7280	0.000	2	112.7280	0.000	2	110.2265	2.102	12	110.2265	2.102	12	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:4:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]C[5]O[5])(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]C[5]O[5])(O){1|Cl<1>,3|C<4>,3|H<1>,3|O<2>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	111.4170	0.000	2	111.4170	0.000	2	110.2265	2.102	12	110.2265	2.102	12	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:4:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.7690	0.000	2	109.1405	0.184	4	110.2265	2.102	12	110.2265	2.102	12	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:4:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O){1|Cl<1>,3|C<4>,3|H<1>,3|O<2>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.5120	0.000	2	109.1405	0.184	4	110.2265	2.102	12	110.2265	2.102	12	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5]	4:3:4:2:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6,6]C[5,5]Cl)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6,6]C[5,5]Cl)(O){1|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.4665	0.253	4	109.4665	0.064	4	110.2265	2.102	12	110.2265	2.102	12	110.4819	1.796	22	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5,6]	3:4:2:3:	4:4:3:	4:4:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H)	O[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[6]H){1|H<1>,3|C<4>,5|C<3>}	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	108.6827	53.278	3	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	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[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	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[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>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	108.6827	53.278	3	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5,6]	4:2:4:3:	4:4:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(O)	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(O){3|H<1>,5|C<4>}	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H){1|O<1>,4|C<4>,4|H<1>}	102.6910	0.000	1	102.6910	0.000	1	102.6910	0.000	1	102.6910	0.000	1	108.6827	53.278	3	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	108.4930	0.000	1	108.6735	0.065	2	108.6735	0.065	2	108.6735	0.065	2	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>,2|O<2>,3|C<3>}	108.8540	0.000	1	108.6735	0.065	2	108.6735	0.065	2	108.6735	0.065	2	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O)	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5,6]CH)(O)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5,6]CH)(O){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[6]H){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(O)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(O){1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.7940	0.000	1	107.7940	0.000	1	107.7510	8.843	3	107.7510	8.843	3	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(O)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(O){1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	104.7560	0.000	1	104.7560	0.000	1	107.7510	8.843	3	107.7510	8.843	3	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5,6])(O)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5,6])(O){3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.7030	0.000	1	110.7030	0.000	1	107.7510	8.843	3	107.7510	8.843	3	109.1223	6.081	7	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O[5]	3:3:2:2:	4:3:4:	4:4:	C[5,5]-3:C[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2{4|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	112.7773	1.619	4	112.7773	2.621	4	112.7773	2.621	4	112.7773	2.621	4	112.7802	1.966	5	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O[5]	3:4:2:1:	4:4:2:	4:4:	C[5,5]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2H)(N[5]O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2H)(N[5]O[5]){1|C<4>,2|O<2>,4|H<1>}	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	112.7802	1.966	5	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	112.4870	4.615	2	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2{2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O){1|O<1>,4|H<1>,5|C<4>}	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH){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	112.4870	4.615	2	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:2:3:2:	4:4:1:	4:4:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O){1|C<3>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:2:3:2:	4:4:3:	4:4:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	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>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:N[5]-2:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	110.4377	2.475	15	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.3647	1.107	6	110.3647	1.225	6	110.9578	1.603	12	110.4377	2.475	15	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]Pd)(O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{1|Pd<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]Pd)(O){2|C<3>,2|C<4>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.5510	1.207	6	111.5510	1.457	6	110.9578	1.603	12	110.4377	2.475	15	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]H)2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5])	C[5,5](C[5]C[5]H)2(O[5]C[5])2{2|Br<1>,4|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	108.0195	0.317	2	108.0195	0.101	2	108.0195	0.101	2	110.4377	2.475	15	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	114.1290	0.000	1	113.4295	0.979	2	111.8515	2.595	6	111.8515	2.595	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	112.7300	0.000	1	113.4295	0.979	2	111.8515	2.595	6	111.8515	2.595	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.5770	0.000	1	110.4885	1.662	2	111.8515	2.595	6	111.8515	2.595	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.4000	0.000	1	110.4885	1.662	2	111.8515	2.595	6	111.8515	2.595	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	112.5160	0.000	1	112.5160	0.000	1	111.8515	2.595	6	111.8515	2.595	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.7570	0.000	1	110.7570	0.000	1	111.8515	2.595	6	111.8515	2.595	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.5490	0.255	2	109.5490	0.065	2	109.5490	0.065	2	109.5490	0.065	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:4:	4:3:2:	4:4:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	3:4:1:	4:4:	C[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	113.3010	0.000	1	113.3010	0.000	1	113.3010	0.000	1	113.3010	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:2:3:	4:4:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H){1|C<4>,1|O<2>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|O<2>,3|C<3>}	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:2:4:	4:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	110.7085	4.360	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:2:4:	4:4:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3)	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	110.7085	4.360	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	108.6510	0.000	1	108.6510	0.000	1	109.6800	2.118	2	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.7090	0.000	1	110.7090	0.000	1	109.6800	2.118	2	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	111.2470	0.000	1	111.2470	0.000	1	109.3815	6.960	2	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.5160	0.000	1	107.5160	0.000	1	109.3815	6.960	2	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	111.9970	0.000	1	111.9970	0.000	1	111.3820	0.756	2	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	110.7670	0.000	1	110.7670	0.000	1	111.3820	0.756	2	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[6a]N[5])(O)	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	110.2521	2.492	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:2:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:N-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	104.8260	0.144	2	105.7693	2.680	3	105.7693	2.680	3	105.7693	2.680	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:2:	4:4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:N-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	107.6560	0.000	1	105.7693	2.680	3	105.7693	2.680	3	105.7693	2.680	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:4:	4:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH){1|C<4>,5|C<3>}	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:4:1:	4:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:2:	3:4:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){2|H<1>,5|C<4>}	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	106.9535	0.364	2	106.9535	0.133	2	106.9535	0.133	2	106.9535	0.133	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:2:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3){1|O<2>,2|H<1>,2|O<1>,3|C<4>,4|C<3>}	110.9640	0.000	1	110.4045	0.626	2	110.4045	0.626	2	110.4045	0.626	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:2:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,2|H<1>,4|C<4>}	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3){1|O<2>,2|H<1>,2|O<1>,3|C<3>,4|C<4>}	109.8450	0.000	1	110.4045	0.626	2	110.4045	0.626	2	110.4045	0.626	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5,6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.8090	0.000	1	109.8090	0.000	1	108.3230	4.416	2	108.7298	6.155	5	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.8370	0.000	1	106.8370	0.000	1	108.3230	4.416	2	108.7298	6.155	5	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|C<4>}	105.3970	0.000	1	105.3970	0.000	1	108.2445	16.217	2	108.7298	6.155	5	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	111.0920	0.000	1	111.0920	0.000	1	108.2445	16.217	2	108.7298	6.155	5	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	108.7298	6.155	5	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:4:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	112.6540	0.033	2	113.0487	0.468	3	113.0487	0.468	3	113.0487	0.468	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:4:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	113.8380	0.000	1	113.0487	0.468	3	113.0487	0.468	3	113.0487	0.468	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:2:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a])(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a])(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H){1|N<2>,1|O<1>,2|C<2>,4|C<3>}	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.0700	1.237	2	107.0700	1.531	2	107.0700	1.531	2	107.0700	1.531	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.1170	0.000	1	108.1170	0.000	1	111.4704	3.580	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	111.8430	1.570	9	111.8430	2.465	9	111.4704	3.580	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.6790	0.000	1	112.6790	0.000	1	107.7901	10.830	8	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	107.0917	2.843	7	107.0917	8.082	7	107.7901	10.830	8	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.6230	0.000	1	110.6230	0.000	1	109.8632	1.788	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|Si<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.2530	0.416	2	109.2530	0.173	2	109.8632	1.788	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.2770	0.000	1	109.2770	0.000	1	109.8632	1.788	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.8410	0.000	1	107.8410	0.000	1	109.8632	1.788	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	110.4862	1.661	4	110.4862	2.761	4	109.8632	1.788	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.4400	0.000	1	110.4400	0.000	1	109.8632	1.788	10	109.8184	6.603	29	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5,5]C[5]3)(C[5]C[5]OO)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	O[5](C[5,5]C[5]3)(C[5]C[5]OO){2|O<2>,5|C<3>}	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:2:1:	4:4:	C[3x5,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(H)	C[5](C[5,5]C[3x5,6]O[5]H)(O[5]C[5,5,6])(O)	O[5](C[5,5]C[3x5,6]C[5]H)(C[5,6]C[5,6]2H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(H){4|H<1>,5|C<4>}	C[5](C[5,5]C[3x5,6]O[5]H)(O[5]C[5,5,6])(O){5|C<4>}	O[5](C[5,5]C[3x5,6]C[5]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5,6]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	O[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5]C[5,6,6]H)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5]C[5,6,6]H)(H){2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.5515	1.254	2	108.6140	0.798	3	108.6140	0.798	3	108.6589	0.451	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.7390	0.000	1	108.6140	0.798	3	108.6140	0.798	3	108.6589	0.451	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH)	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH){1|H<1>,2|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	108.7155	0.883	2	108.7155	0.780	2	108.7155	0.780	2	108.6589	0.451	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH){1|H<1>,2|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	108.6695	0.562	2	108.6695	0.316	2	108.6695	0.316	2	108.6589	0.451	7	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:2:1:	4:3:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O)	O[5](C[5,5]C[5]2O[5])(N[5]C[5]2)	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<4>}	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O){1|H<1>,1|N<3>,4|C<4>}	O[5](C[5,5]C[5]2O[5])(N[5]C[5]2){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	106.3730	0.000	1	106.3730	0.000	1	107.3395	1.868	2	107.3395	1.868	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:2:1:	4:3:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O)	O[5](C[5,5]C[5]2O[5])(N[5]C[5]2)	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){1|H<1>,4|C<4>}	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O){1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5]2O[5])(N[5]C[5]2){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	108.3060	0.000	1	108.3060	0.000	1	107.3395	1.868	2	107.3395	1.868	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:2:1:	4:4:	C[3x5,6]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH)	C[5](C[5,5]C[3x5,6]O[5]O)(O[5]C[5,5,6])(O)	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH){4|H<1>,5|C<4>}	C[5](C[5,5]C[3x5,6]O[5]O)(O[5]C[5,5,6])(O){5|C<4>}	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	104.3810	0.000	1	104.3810	0.000	1	104.3810	0.000	1	104.3810	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:3:4:	4:4:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5]){2|C<3>,3|C<4>,5|H<1>}	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5,5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O)	O[5](C[5,5]C[5,5]C[5]O[5])2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O){1|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[5]O[5])2{1|C<3>,1|O<1>,4|H<1>,5|C<4>}	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:P[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Cr)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Cr<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Cr){1|H<1>,2|C<3>,4|C<4>}	109.3840	0.000	1	109.3840	0.000	1	108.8445	0.371	4	108.8445	0.371	4	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:P[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Mo)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Mo){1|H<1>,2|C<3>,4|C<4>}	108.9630	0.438	2	108.9630	0.192	2	108.8445	0.371	4	108.8445	0.371	4	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:P[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]W)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,3|C<4>}	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]W){1|H<1>,2|C<3>,4|C<4>}	108.0680	0.000	1	108.0680	0.000	1	108.8445	0.371	4	108.8445	0.371	4	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	3:4:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,1|O<2>,6|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	111.9350	0.000	1	111.9350	0.000	1	110.8053	4.665	11	110.8053	4.665	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	113.2400	0.000	1	113.2090	0.002	2	110.8053	4.665	11	110.8053	4.665	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	113.1780	0.000	1	113.2090	0.002	2	110.8053	4.665	11	110.8053	4.665	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.6375	1.046	2	110.6375	1.094	2	110.8053	4.665	11	110.8053	4.665	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.0005	1.890	4	109.8717	5.487	6	110.8053	4.665	11	110.8053	4.665	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	107.6140	1.194	2	109.8717	5.487	6	110.8053	4.665	11	110.8053	4.665	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:2:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	109.9605	0.663	2	109.9605	0.439	2	109.9605	0.439	2	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,6]C)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	108.6250	0.000	1	108.6250	0.000	1	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.2107	0.338	3	111.2107	0.114	3	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.0565	0.011	2	110.5250	0.691	4	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.9935	1.092	2	110.5250	0.691	4	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.8490	0.000	1	110.8490	0.000	1	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.5250	0.000	1	110.4740	0.005	2	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.4230	0.000	1	110.4740	0.005	2	110.5595	0.742	11	110.4673	0.706	13	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[5]C)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H){1|H<1>,4|C<4>}	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[5]C){1|C<3>,3|H<1>,5|C<4>}	111.5415	0.241	2	111.5415	0.058	2	111.5415	0.058	2	112.0727	1.606	12	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	112.0727	1.606	12	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	112.0727	1.606	12	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.2740	0.391	3	113.2740	0.153	3	113.2740	0.153	3	112.0727	1.606	12	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,2|H<1>}	110.8955	0.845	2	110.8955	0.714	2	110.8955	0.714	2	112.0727	1.606	12	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.7020	0.449	3	112.7020	0.202	3	112.7020	0.202	3	112.0727	1.606	12	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:2:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C-3:N[5]-2:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]C)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(CC[5a]C[6a])(N[5]C[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]C)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]C)(CCO)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CC)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]C)(CCO){1|C<3>,2|C<4>}	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CC){1|H<1>,1|O<2>,4|C<3>}	115.0610	0.000	1	115.0610	0.000	1	115.0610	0.000	1	112.9065	9.284	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	112.9065	9.284	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,3|C<4>}	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	113.6740	0.143	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:3:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,2|C<4>}	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	113.6740	0.143	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	108.8855	11.916	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	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>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	106.9285	0.467	4	106.9285	0.218	4	106.9285	0.218	4	108.8855	11.916	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H){4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O){1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.3460	0.000	1	115.3460	0.000	1	115.3460	0.000	1	108.8855	11.916	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:2:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	113.8190	0.000	1	113.8190	0.000	1	113.8190	0.000	1	113.8190	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.6880	0.000	1	112.6880	0.000	1	112.6880	0.000	1	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,5]H)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	111.1008	0.321	4	111.1008	0.103	4	111.1008	0.103	4	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5,6]-4:C[5]-3:N[5]-2:O[5]-2:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6])	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH){2|C<3>,2|C<4>,3|H<1>}	111.7020	0.000	1	111.7020	0.000	1	111.4482	0.828	5	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	110.1130	0.000	1	110.1130	0.000	1	111.4482	0.828	5	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2{3|H<1>,4|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	111.9440	0.983	2	111.9440	0.966	2	111.4482	0.828	5	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	111.5380	0.000	1	111.5380	0.000	1	111.4482	0.828	5	111.3182	0.710	11	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:2:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.0735	1.041	4	111.0735	1.084	4	111.0735	1.084	4	111.0735	1.084	4	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	109.7730	0.000	1	109.7730	0.000	1	110.8980	3.228	3	110.8980	3.228	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	109.9510	0.000	1	109.9510	0.000	1	110.8980	3.228	3	110.8980	3.228	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	112.9700	0.000	1	112.9700	0.000	1	110.8980	3.228	3	110.8980	3.228	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:3:	3:4:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O)	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O){1|H<1>,1|O<1>,3|C<3>}	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(COO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(COO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:3:	4:3:1:	4:4:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	110.3590	0.000	1	110.3590	0.000	1	110.3365	0.001	2	110.3365	0.001	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:3:	4:3:1:	4:4:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.3140	0.000	1	110.3140	0.000	1	110.3365	0.001	2	110.3365	0.001	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	111.0390	0.000	1	111.0390	0.000	1	109.5725	3.535	6	109.5725	3.535	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	107.0220	0.000	1	107.0220	0.000	1	109.5725	3.535	6	109.5725	3.535	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.8435	1.706	4	109.8435	2.909	4	109.5725	3.535	6	109.5725	3.535	6	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:S[5]-3:H-1:	C[5,5]-4:S[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3)	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H)	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3){1|O<1>,1|S<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|H<1>,1|S<3>,2|C<4>}	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:2:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|F<1>,1|W<6>,3|C<3>,3|C<4>}	108.4900	0.000	1	107.4580	0.800	3	107.4580	0.800	3	107.4580	0.800	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Cr<6>,3|C<3>,3|C<4>}	106.9090	0.000	1	107.4580	0.800	3	107.4580	0.800	3	107.4580	0.800	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:3:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Mo<6>,3|C<3>,3|C<4>}	106.9750	0.000	1	107.4580	0.800	3	107.4580	0.800	3	107.4580	0.800	3	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:4:	4:4:3:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:4:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:2:3:	4:4:1:	3:4:	C[5]-4:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-4:O-1:	N[5,6]-3:C[5,5]-4:	C[5,5](C[5]C[5,5]CC)(C[5]C[5,6]HH)(O[5]N[5,6])(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(O)	O[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]3)	C[5,5](C[5]C[5,5]CC)(C[5]C[5,6]HH)(O[5]N[5,6])(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]3){1|O<1>,4|H<1>,7|C<4>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5,5])(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5,5])(O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	110.3950	0.000	1	110.3950	0.000	1	111.0520	0.225	4	109.4264	6.956	8	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5])(O){2|H<1>,3|C<4>,3|O<2>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	111.0580	0.000	1	111.2710	0.050	3	111.0520	0.225	4	109.4264	6.956	8	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(O[5]C[5])(O){2|C<4>,3|H<1>,3|O<2>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	111.3775	0.180	2	111.2710	0.050	3	111.0520	0.225	4	109.4264	6.956	8	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5,6])(O)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5]){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5,6])(O){2|H<1>,6|C<4>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	109.4264	6.956	8	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	108.9440	0.000	1	108.9440	0.000	1	108.9513	5.494	3	109.4264	6.956	8	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){2|C<4>,2|O<2>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	108.9550	3.315	2	108.9550	10.989	2	108.9513	5.494	3	109.4264	6.956	8	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:4:1:	4:4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HN)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HN){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	100.0470	0.000	1	100.0470	0.000	1	104.0275	31.689	2	104.0275	31.689	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:4:1:	4:4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O)	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(O){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.0080	0.000	1	108.0080	0.000	1	104.0275	31.689	2	104.0275	31.689	2	110.2457	5.755	206	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:2:2:1:	4:3:2:	4:4:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	111.8025	11.770	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:3:2:	4:4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]N[5])(C[5]N[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]N[5])(C[5]N[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|H<1>,1|N<3>}	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	111.8025	11.770	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:2:	4:4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	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>}	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	110.7100	3.285	2	110.7100	10.793	2	110.7100	10.793	2	110.7100	10.793	2	111.8025	11.770	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:4:2:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H){2|C<4>,2|O<1>,3|H<1>,3|O<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]){1|S<4>,2|C<4>,5|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H){1|N<2>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	108.1675	0.097	2	108.1675	0.009	2	108.1675	0.009	2	108.1675	0.009	2	111.8025	11.770	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	4:3:2:4:	4:4:3:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	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)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C){2|C<3>,3|H<1>,4|C<4>}	114.9925	0.175	2	114.9925	0.031	2	114.9925	0.031	2	114.9925	0.031	2	111.8025	11.770	8	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:4:2:3:	4:3:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-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[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]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){1|O<1>,5|H<1>,6|C<4>}	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>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3){2|C<3>,5|C<4>,6|H<1>}	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:3:1:	4:3:3:	4:4:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	108.4302	6.244	5	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:4:2:1:	4:4:2:	4:4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-2:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HH)(N[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HH)(N[5]O[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<2>,3|C<4>,6|H<1>}	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	108.4302	6.244	5	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	108.4302	6.244	5	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(N[5]C[5]Pd)(O[5]C[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H){1|Pd<4>,2|C<3>,4|C<4>}	C[5](C[5]C[5]O[5]H)(N[5]C[5]Pd)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	108.4302	6.244	5	110.3633	6.184	274
474	818	976	0:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:4:	4:4:3:	4:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	108.4302	6.244	5	110.3633	6.184	274
474	818	976	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	O[5]	3:4:4:2:	4:2:3:	4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,3x6]-4: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[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)	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[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>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	103.8610	0.000	1	103.8610	0.000	1	103.7160	0.042	2	103.7160	0.042	2	103.7160	0.042	2	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	O[5]	3:4:4:2:	4:2:3:	4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,3x6]-4: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[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)	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[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>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	103.5710	0.000	1	103.5710	0.000	1	103.7160	0.042	2	103.7160	0.042	2	103.7160	0.042	2	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	O[5]	3:2:4:2:	4:4:3:	4:3:	C[5,6]-3:O[5,6]-2:C[5]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	O[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]O)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]O){2|H<1>,4|C<4>}	105.1860	0.000	1	105.1860	0.000	1	105.1860	0.000	1	105.1860	0.000	1	104.8227	0.099	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:3:	4:3:	C[5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O)	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2{1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O){1|H<1>,1|O<2>,4|C<4>}	104.6580	0.000	1	104.6580	0.000	1	104.6580	0.000	1	104.6580	0.000	1	104.8227	0.099	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H)	O[5](C[5,5,6]C[5,6]3)(C[5]C[5]O)	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,5,6]C[5,6]3)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	104.8227	0.099	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5,6]C[5,6,6]2O[5])(C[5]C[5]H)(H)	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]C[5]O)	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,6,6]2O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]C[5]O){1|N<3>,3|H<1>,4|C<4>}	102.6730	0.000	1	102.6730	0.000	1	102.6730	0.000	1	102.6730	0.000	1	102.6730	0.000	1	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:2:4:2:	3:4:3:	3:4:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	103.6470	0.000	1	103.6470	0.000	1	103.6470	0.000	1	103.6470	0.000	1	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]N){1|C<4>,2|C<2>,4|C<3>}	104.2095	0.152	2	104.2095	0.023	2	104.2095	0.023	2	104.2095	0.023	2	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	104.8330	0.000	1	104.8330	0.000	1	104.7877	0.304	3	104.7877	0.304	3	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	104.7650	0.778	2	104.7650	0.605	2	104.7877	0.304	3	104.7877	0.304	3	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:4:2:1:	4:3:4:	4:3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	105.5660	0.000	1	105.5660	0.000	1	105.5660	0.000	1	105.5660	0.000	1	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	103.9850	0.000	1	103.9850	0.000	1	103.7477	0.042	3	103.7477	0.042	3	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	103.6290	0.000	2	103.6290	0.000	2	103.7477	0.042	3	103.7477	0.042	3	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	3:4:4:2:	4:4:3:	4:3:	C[5,5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5])	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]O)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]O){1|C<3>,3|C<4>,4|H<1>}	101.2160	0.000	1	101.2160	0.000	1	101.2160	0.000	1	101.2160	0.000	1	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,5]	O[5]	4:3:2:1:	3:4:3:	4:3:	C[5,6]-4:C[5,5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	104.6620	0.000	1	104.6620	0.000	1	104.6620	0.000	1	104.6620	0.000	1	104.0930	1.229	12	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,6]	O[5]	3:4:2:2:	3:4:3:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2{2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O){1|O<1>,4|H<1>,5|C<4>}	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	102.5270	0.000	1	102.5270	0.000	1	102.5270	0.000	1	102.5270	0.000	1	102.2473	0.037	4	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,6]	O[5]	3:4:3:2:	4:3:4:	4:3:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O){2|H<1>,5|C<4>}	102.1695	0.081	2	102.1695	0.007	2	102.1540	0.004	3	102.1540	0.004	3	102.2473	0.037	4	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5,6]	O[5]	3:4:3:2:	4:3:4:	4:3:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O[5](C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6]O){2|H<1>,5|C<4>}	102.1230	0.000	1	102.1230	0.000	1	102.1540	0.004	3	102.1540	0.004	3	102.2473	0.037	4	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:3:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<2>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|Cl<1>,1|C<2>,1|O<1>,5|C<3>}	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:O[5]-2:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5]C[5,5a]O)(O[5]C[5,5a])(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O)	O[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,5a]O)(O[5]C[5,5a])(C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O){3|C<3>,3|C<4>}	O[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2O[5]){1|O<1>,1|S<2>,3|C<3>,3|C<4>}	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|H<1>,2|C<4>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	105.1450	0.000	1	105.1450	0.000	1	105.7495	0.731	2	104.9916	0.662	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|H<1>,2|O<1>,2|O<2>,4|C<3>}	106.3540	0.000	1	106.3540	0.000	1	105.7495	0.731	2	104.9916	0.662	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	104.4480	0.000	1	104.4480	0.000	1	104.4863	0.001	3	104.9916	0.662	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	104.5055	0.026	2	104.5055	0.001	2	104.4863	0.001	3	104.9916	0.662	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2{2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	105.0270	0.000	1	105.0270	0.000	1	105.0270	0.000	1	105.0270	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:2:	3:4:3:	4:3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]C)2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]N)	C[5,5](C[5]C[5]C)2(O[5]C[5])2{2|C<3>,2|N<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO){1|N<2>,3|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]N){5|C<3>}	104.9100	0.134	2	104.9100	0.018	2	104.9100	0.018	2	104.9100	0.018	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:2:3:	4:3:3:	3:4:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:2:3:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH){1|N<3>,2|C<3>,2|O<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O){1|N<3>,1|O<1>,3|C<3>}	101.6710	0.000	1	101.6710	0.000	1	101.6710	0.000	1	101.6710	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	104.2150	0.000	1	104.2150	0.000	1	104.4633	0.180	3	104.4633	0.180	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	104.5875	0.517	2	104.5875	0.267	2	104.4633	0.180	3	104.4633	0.180	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]N)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	103.7970	0.000	1	103.7970	0.000	1	103.7022	0.091	4	104.0596	0.248	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|O<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	103.2680	0.000	1	103.2680	0.000	1	103.7022	0.091	4	104.0596	0.248	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO){1|N<3>,2|C<3>,2|O<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|O<1>,2|N<3>,3|C<3>}	103.8720	0.136	2	103.8720	0.018	2	103.7022	0.091	4	104.0596	0.248	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>}	104.5600	0.000	1	104.5600	0.000	1	104.5600	0.000	1	104.0596	0.248	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	104.5240	0.151	2	104.5240	0.023	2	104.5240	0.023	2	104.0596	0.248	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:2:	4:3:3:	4:3:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	104.0770	0.000	1	104.0770	0.000	1	104.0770	0.000	1	104.0770	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:2:3:	4:3:1:	3:4:	C[5]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6]-3:C[5,5]-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C)	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C){2|C<4>,4|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	102.4720	0.000	1	102.4720	0.000	1	102.4090	0.008	2	102.4090	0.008	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	102.3460	0.000	1	102.3460	0.000	1	102.4090	0.008	2	102.4090	0.008	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:3:2:	4:4:1:	4:3:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]2)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5]){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){2|C<3>,4|C<4>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,7|C<4>}	102.3470	0.000	1	102.3470	0.000	1	102.3470	0.000	1	102.3470	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	O[5](C[5,5]C[5]3)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:2:	4:3:1:	4:3:	C[5,6]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]N)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]N){1|C<3>,2|H<1>,3|C<4>}	103.7680	0.000	1	103.7680	0.000	1	103.7680	0.000	1	103.7680	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:2:3:2:	4:3:4:	4:3:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){3|C<4>,3|H<1>}	103.5800	0.000	1	103.5800	0.000	1	103.5800	0.000	1	103.5800	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	103.6510	0.000	1	103.6510	0.000	1	103.6450	0.000	2	103.6450	0.000	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	103.6390	0.000	1	103.6390	0.000	1	103.6450	0.000	2	103.6450	0.000	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:2:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	102.6805	0.182	4	102.6805	0.033	4	102.6805	0.033	4	102.6805	0.033	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	104.0140	0.000	1	104.0140	0.000	1	103.9120	0.011	3	103.9120	0.011	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){3|C<4>,3|H<1>}	103.8020	0.000	1	103.8020	0.000	1	103.9120	0.011	3	103.9120	0.011	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]O){1|H<1>,2|C<3>,3|C<4>}	103.9200	0.000	1	103.9200	0.000	1	103.9120	0.011	3	103.9120	0.011	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:3:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	105.0130	0.165	2	105.0130	0.027	2	105.2626	0.205	5	105.2626	0.205	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:3:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	105.4290	0.541	3	105.4290	0.293	3	105.2626	0.205	5	105.2626	0.205	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	104.7010	0.000	1	105.1460	0.187	3	105.2710	0.187	4	105.2710	0.187	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,4|H<1>,5|C<3>}	105.3685	0.278	2	105.1460	0.187	3	105.2710	0.187	4	105.2710	0.187	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	105.6460	0.000	1	105.6460	0.000	1	105.2710	0.187	4	105.2710	0.187	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3){1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	104.4620	0.000	1	104.5750	0.026	2	104.8912	0.167	4	104.8912	0.167	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3){1|H<1>,1|O<2>,2|C<4>,2|O<1>,3|C<3>}	104.6880	0.000	1	104.5750	0.026	2	104.8912	0.167	4	104.8912	0.167	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	O[5](C[5]C[5a]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O[5](C[5]C[5a]C[5])(C[5,5]C[5]3){1|C<3>,1|H<1>,2|C<4>,2|O<1>,3|O<2>}	105.2075	0.275	2	105.2075	0.076	2	104.8912	0.167	4	104.8912	0.167	4	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	102.7910	0.000	1	102.7910	0.000	1	102.7910	0.000	1	104.3494	1.241	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]H)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	105.2810	0.000	1	105.2810	0.000	1	104.7390	0.642	4	104.3494	1.241	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]H)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	104.3705	1.150	2	104.3705	1.324	2	104.7390	0.642	4	104.3494	1.241	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]C)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]C){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	104.9340	0.000	1	104.9340	0.000	1	104.7390	0.642	4	104.3494	1.241	5	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:2:	4:3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	102.6690	0.177	4	102.5640	0.041	7	102.5640	0.041	7	102.5640	0.041	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:3:3:2:	4:3:2:	4:3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	102.4240	0.159	3	102.5640	0.041	7	102.5640	0.041	7	102.5640	0.041	7	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	3:4:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	104.9590	0.000	1	104.9590	0.000	1	104.9590	0.000	1	104.9590	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:3:	4:3:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[5])(CSiN)	O[5](C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5]){1|O<1>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5])(CSiN){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]N[5]O){1|C<3>,2|C<4>,4|H<1>}	100.3540	0.000	1	100.3540	0.000	1	100.3540	0.000	1	100.3540	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|O<1>,2|H<1>,7|C<3>}	105.2140	0.000	1	105.2140	0.000	1	105.2190	0.000	2	105.2190	0.000	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	105.2240	0.000	1	105.2240	0.000	1	105.2190	0.000	2	105.2190	0.000	2	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O){1|O<2>,3|C<4>,4|H<1>}	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC)	O[5](C[5,5]C[5]3)(C[5]C[5]O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	101.3105	0.424	2	101.3105	0.179	2	101.6507	0.437	3	101.6507	0.437	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH)	O[5](C[5,5]C[5]3)(C[5]C[5]O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	102.3310	0.000	1	102.3310	0.000	1	101.6507	0.437	3	101.6507	0.437	3	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(CC[6a]Si)	O[5](C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5]){1|O<1>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(CC[6a]Si){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]N[5]O){1|C<3>,2|C<4>,5|H<1>}	102.8870	0.000	1	102.8870	0.000	1	102.8870	0.000	1	102.8870	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:4:	4:3:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3)	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5]O)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	104.0415	1.708	76	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	O[5]	3:4:4:2:	4:4:3:	4:3:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	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[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)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]O){1|N<3>,3|C<4>,4|H<1>}	104.0700	0.249	2	104.0700	0.062	2	104.0700	0.062	2	104.0700	0.062	2	104.0700	0.062	2	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	O[5]	3:4:3:2:	4:4:3:	4:3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-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[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	102.8910	0.000	1	102.8910	0.000	1	102.8910	0.000	1	102.8910	0.000	1	104.0673	2.219	6	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	O[5]	3:4:4:2:	4:3:2:	4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5]-3:O[6]-2:	C[5,6,6]-4:C[5]-3:	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[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	103.1050	0.000	1	103.1050	0.000	1	103.1050	0.000	1	103.1050	0.000	1	104.0673	2.219	6	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	O[5]	3:4:4:2:	4:4:3:	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[5]-3:	C[5,6,6]-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[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){3|H<1>,5|C<4>}	103.7010	0.000	1	103.7010	0.000	1	103.7010	0.000	1	103.7010	0.000	1	104.0673	2.219	6	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	O[5]	4:3:2:2:	4:4:3:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-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[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	104.0673	2.219	6	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	O[5]	4:3:4:2:	4:3:3:	4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5]-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[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	103.9810	0.000	1	103.9810	0.000	1	103.9810	0.000	1	103.9810	0.000	1	104.0673	2.219	6	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	O[5]	4:3:4:2:	4:4:3:	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[5]-3:	C[5,6,6]-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[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	103.7370	0.000	1	103.7370	0.000	1	103.7370	0.000	1	103.7370	0.000	1	104.0673	2.219	6	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[5]-3:	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[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O)	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]C[4]C[5])	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[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>}	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]C[4]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	103.0000	0.356	2	103.0000	0.127	2	103.0000	0.127	2	103.0000	0.127	2	103.0000	0.127	2	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,5]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O)	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[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>}	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O){1|N<3>,3|C<4>,4|H<1>}	100.3787	0.210	3	100.3787	0.044	3	100.3787	0.044	3	100.3787	0.044	3	100.3787	0.044	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6,6]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a]){1|C<4>,3|C<3>,3|O<2>}	104.7075	0.059	4	104.7075	0.004	4	104.7075	0.004	4	104.7075	0.004	4	104.5644	0.105	5	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-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[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])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	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[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>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|H<1>,3|C<4>}	103.9920	0.000	1	103.9920	0.000	1	103.9920	0.000	1	103.9920	0.000	1	104.5644	0.105	5	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:2:4:3:	3:4:3:	3:4:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	104.5300	0.000	1	104.5300	0.000	1	104.5300	0.000	1	104.5300	0.000	1	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:3:2:4:	3:4:3:	4:3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<1>,3|C<3>}	104.7660	0.096	2	104.7660	0.009	2	104.7660	0.009	2	104.7660	0.009	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:3:4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	104.6580	0.000	1	104.6580	0.000	1	104.6580	0.000	1	104.6580	0.000	1	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	104.6020	0.000	1	104.6020	0.000	1	104.5900	0.000	2	104.5900	0.000	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	104.5780	0.000	1	104.5780	0.000	1	104.5900	0.000	2	104.5900	0.000	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:C[5]-3:	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[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)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	103.0560	0.000	1	103.0560	0.000	1	103.0560	0.000	1	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	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[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)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	103.7280	0.000	1	103.7280	0.000	1	103.3603	0.101	3	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	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[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)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	103.1850	0.000	1	103.1850	0.000	1	103.3603	0.101	3	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	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[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	103.1680	0.000	1	103.1680	0.000	1	103.3603	0.101	3	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	104.1980	0.000	1	104.1980	0.000	1	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	104.4520	0.000	1	104.4520	0.000	1	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	103.5230	0.214	2	103.5230	0.046	2	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	104.1095	0.278	2	103.6182	0.413	6	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	103.2980	0.000	1	103.6182	0.413	6	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	102.7080	0.000	1	103.6182	0.413	6	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	103.7420	0.737	2	103.6182	0.413	6	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	104.2380	0.000	1	103.8950	0.220	3	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	103.7235	0.514	2	103.8950	0.220	3	103.7762	0.292	13	103.6604	0.282	17	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:3:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O){2|C<4>,3|H<1>}	102.9170	0.000	1	102.9170	0.000	1	102.9170	0.000	1	102.9170	0.000	1	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:4:	3:3:4:	3:4:	C[5,6]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3)	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3){6|C<3>}	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	105.7037	0.627	4	105.7037	0.393	4	105.7037	0.393	4	105.7037	0.393	4	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:2:4:	3:4:2:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-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[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	103.6310	0.160	3	103.6310	0.026	3	103.6310	0.026	3	103.6310	0.026	3	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	3:4:4:2:	4:4:3:	4:3:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){2|C<4>,3|H<1>}	104.1100	0.000	1	104.1100	0.000	1	104.1100	0.000	1	104.1100	0.000	1	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,2|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O[5](C[5,6]C[5,6]2H)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	103.6430	0.000	1	103.6430	0.000	1	103.6430	0.000	1	104.3700	1.057	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-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[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]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[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>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>}	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	104.3700	1.057	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	104.5020	0.000	1	104.5020	0.000	1	104.5020	0.000	1	104.5020	0.000	1	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:3:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-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[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	104.4360	0.000	2	104.4360	0.000	2	104.4360	0.000	2	104.4360	0.000	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5,6]	O[5]	4:3:4:2:	4:4:3:	4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-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[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)	O[5](C[5,6]C[5,6]2C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]2C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	103.5455	0.124	2	103.5455	0.015	2	103.5455	0.015	2	103.5455	0.015	2	104.0121	0.993	40	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:2:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O)	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]S[6]2)	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2{3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]S[6]2){1|O<1>,2|H<1>,4|C<4>}	104.5910	0.000	1	104.5910	0.000	1	104.5910	0.000	1	104.8110	0.097	2	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:2:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	105.0310	0.000	1	105.0310	0.000	1	105.0310	0.000	1	104.8110	0.097	2	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:3:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,5|C<3>}	104.2525	0.623	2	104.2525	0.388	2	104.3413	0.218	3	104.3413	0.218	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:3:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<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|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	104.5190	0.000	1	104.5190	0.000	1	104.3413	0.218	3	104.3413	0.218	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:3:3:	3:4:3:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	105.0465	0.323	19	105.0465	0.104	19	105.0465	0.104	19	105.0465	0.104	19	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	104.6920	0.000	1	104.6920	0.000	1	104.6920	0.000	1	104.6920	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	C[5](C[5,6]N[6]2O[5])(N[5]C[6a]C[5])(O)	O[5](C[5,6]C[5]N[6]2)(C[5]N[5]N)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	C[5](C[5,6]N[6]2O[5])(N[5]C[6a]C[5])(O){1|N<2>,6|C<3>}	O[5](C[5,6]C[5]N[6]2)(C[5]N[5]N){1|O<1>,5|C<3>}	102.3170	0.000	1	102.3170	0.000	1	102.3170	0.000	1	102.3170	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){2|H<1>,4|C<3>}	103.4253	0.149	3	103.4253	0.022	3	103.4253	0.022	3	103.4253	0.022	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5]-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[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.8510	0.000	1	102.8510	0.000	1	102.8510	0.000	1	102.8510	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	103.8830	0.000	1	103.8830	0.000	1	103.8830	0.000	1	103.8830	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]C)(COO)	O[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]C)(COO){1|N<2>,5|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]N){7|C<3>}	103.3140	0.000	1	103.3140	0.000	1	103.3140	0.000	1	103.3140	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:2:3:2:	4:3:1:	4:3:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,3|H<1>}	102.9250	0.083	2	103.1000	0.095	3	103.1000	0.095	3	103.1000	0.095	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:2:3:2:	4:3:1:	4:3:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,3|H<1>}	103.4500	0.000	1	103.1000	0.095	3	103.1000	0.095	3	103.1000	0.095	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,4|H<1>}	103.2995	0.022	2	103.2995	0.000	2	103.2995	0.000	2	103.2995	0.000	2	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	105.3720	0.000	1	104.8912	0.172	6	104.8574	0.127	8	104.8574	0.127	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	104.8483	0.419	4	104.8912	0.172	6	104.8574	0.127	8	104.8574	0.127	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	104.5820	0.000	1	104.8912	0.172	6	104.8574	0.127	8	104.8574	0.127	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:3:2:4:	3:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	104.7560	0.006	2	104.7560	0.000	2	104.8574	0.127	8	104.8574	0.127	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	104.9262	0.199	5	104.8448	0.071	6	104.8607	0.058	8	104.8607	0.058	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	104.4380	0.000	1	104.8448	0.071	6	104.8607	0.058	8	104.8607	0.058	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	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[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>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	104.9085	0.200	2	104.9085	0.040	2	104.8607	0.058	8	104.8607	0.058	8	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:2:3:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:S[5]-2:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H)	O[5](C[5,6]C[5]C[6]2)(C[5]S[5]O)	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[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]S[5]O){1|C<3>,2|C<4>,4|H<1>}	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)	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[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>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	103.7910	0.000	1	103.7910	0.000	1	103.7910	0.000	1	102.9290	0.357	7	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){3|C<4>,5|H<1>}	102.2405	0.121	2	102.2405	0.015	2	102.2405	0.015	2	102.9290	0.357	7	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	102.9040	0.208	3	102.9040	0.043	3	103.0577	0.123	4	102.9290	0.357	7	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	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[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	103.5190	0.000	1	103.5190	0.000	1	103.0577	0.123	4	102.9290	0.357	7	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:	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[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	101.9490	0.000	1	101.9490	0.000	1	101.9490	0.000	1	101.9642	0.383	12	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.5890	0.000	1	101.5890	0.000	1	101.9656	0.421	11	101.9642	0.383	12	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	102.2945	0.360	2	102.2945	0.130	2	101.9656	0.421	11	101.9642	0.383	12	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,3|C<4>,4|H<1>}	101.3790	0.096	2	101.3790	0.009	2	101.9656	0.421	11	101.9642	0.383	12	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	102.1143	0.760	6	102.1143	0.578	6	101.9656	0.421	11	101.9642	0.383	12	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:3:	4:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	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[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	101.1090	0.000	1	101.1090	0.000	1	101.1090	0.000	1	101.1090	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	103.3680	0.000	1	103.3680	0.000	1	103.5265	0.050	2	103.2990	0.180	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	103.6850	0.000	1	103.6850	0.000	1	103.5265	0.050	2	103.2990	0.180	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH)	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	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[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<3>,2|C<4>,5|H<1>}	102.8440	0.000	1	102.8440	0.000	1	102.8440	0.000	1	103.2990	0.180	3	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:4:	4:3:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:	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[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]O)	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[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>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	103.8690	0.000	1	103.8690	0.000	1	103.8690	0.000	1	103.8690	0.000	1	103.9473	1.776	80	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,5,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,5,6]-3:O[5]-2:H-1:H-1:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	O[5](C[5]C[5,5,6]HH)(C[5]C[4x5,6]O)	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[5](C[5]C[5,5,6]HH)(C[5]C[4x5,6]O){1|C<3>,2|C<4>}	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,5]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<3>,1|C<4>}	103.3580	0.000	1	103.3580	0.000	1	103.3580	0.000	1	103.3580	0.000	1	102.1473	1.382	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,5]	O[5]	3:2:4:4:	3:3:4:	3:4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	O[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	O[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC){4|C<3>}	102.0740	0.000	1	102.0740	0.000	1	102.0740	0.000	1	102.0740	0.000	1	102.1473	1.382	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,5]	O[5]	3:2:4:4:	3:3:4:	4:3:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	O[5](C[5]C[5,5]CC)(C[5]C[5,5]C){2|C<3>}	101.0100	0.000	1	101.0100	0.000	1	101.0100	0.000	1	101.0100	0.000	1	102.1473	1.382	3	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O){2|C<4>}	103.2670	0.030	2	103.2650	0.000	3	103.2650	0.000	3	104.1876	1.597	5	104.1876	1.597	5	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O){2|C<4>}	103.2610	0.000	1	103.2650	0.000	3	103.2650	0.000	3	104.1876	1.597	5	104.1876	1.597	5	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|C<4>,1|O<1>,4|C<3>}	O[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O){3|C<3>}	105.5450	0.000	1	105.5715	0.001	2	105.5715	0.001	2	104.1876	1.597	5	104.1876	1.597	5	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O){3|C<3>}	105.5980	0.000	1	105.5715	0.001	2	105.5715	0.001	2	104.1876	1.597	5	104.1876	1.597	5	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:2:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:O[6]-2:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|O<2>}	102.9560	0.000	1	102.9560	0.000	1	102.9560	0.000	1	102.9560	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>}	104.3510	0.000	1	104.3510	0.000	1	104.3510	0.000	1	103.6383	0.663	9	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|N<3>}	103.3050	0.943	5	103.3050	0.890	5	103.3050	0.890	5	103.6383	0.663	9	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>}	104.0700	0.000	1	104.0700	0.000	1	104.0700	0.000	1	103.6383	0.663	9	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>}	104.3220	0.000	1	104.3220	0.000	1	104.3220	0.000	1	103.6383	0.663	9	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	N[6]-3:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|N<3>}	103.4770	0.000	1	103.4770	0.000	1	103.4770	0.000	1	103.6383	0.663	9	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{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>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|O<2>}	104.4015	0.035	2	104.4015	0.001	2	104.4015	0.001	2	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	105.0010	0.000	1	105.0010	0.000	1	104.3049	0.371	10	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.6650	0.000	1	104.6650	0.000	1	104.3049	0.371	10	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	103.7165	0.114	4	103.7165	0.013	4	104.3049	0.371	10	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.3670	0.150	2	104.7213	0.388	3	104.3049	0.371	10	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	105.4300	0.000	1	104.7213	0.388	3	104.3049	0.371	10	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|N<3>}	104.3530	0.000	1	104.3530	0.000	1	104.3049	0.371	10	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.2030	0.020	2	104.2030	0.000	2	104.2030	0.000	2	104.3041	0.260	14	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	104.4156	0.095	7	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.0370	0.000	1	104.0370	0.000	1	104.0370	0.000	1	104.4156	0.095	7	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.3820	0.000	1	104.4750	0.024	3	104.5704	0.037	5	104.4156	0.095	7	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.5215	0.185	2	104.4750	0.024	3	104.5704	0.037	5	104.4156	0.095	7	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	104.7135	0.186	2	104.7135	0.035	2	104.5704	0.037	5	104.4156	0.095	7	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|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>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	104.0910	0.000	1	104.0910	0.000	1	104.0035	0.015	2	104.0035	0.015	2	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|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>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|O<2>}	103.9160	0.000	1	103.9160	0.000	1	104.0035	0.015	2	104.0035	0.015	2	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:2:1:	3:4:3:	3:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H){1|O<2>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO){4|C<3>}	103.8130	0.000	1	103.8130	0.000	1	103.8130	0.000	1	103.8130	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(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)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H){1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){2|C<4>}	104.9850	0.000	1	104.9850	0.000	1	104.0963	0.599	3	104.0963	0.599	3	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(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)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H){1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){2|C<4>}	103.6520	0.119	2	103.6520	0.014	2	104.0963	0.599	3	104.0963	0.599	3	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:2:2:	3:4:4:	4:3:	C[5,6]-3:O[5]-2:O-2:O-2:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	O[5](C[5]C[5,6]OO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6]OO)(C[5]C[5,6]O){1|C<3>,1|C<4>}	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:4:2:	3:4:3:	4:2:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	O[5](C[5]C[5,6]CO)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6]CO)(N[5]C[5,6]){2|C<3>}	102.7630	0.000	1	102.7630	0.000	1	102.7630	0.000	1	102.7630	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:4:4:	3:3:4:	4:3:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC){1|O<1>,3|C<3>}	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O){2|C<3>}	101.2885	0.472	2	101.2885	0.222	2	101.2885	0.222	2	101.2885	0.222	2	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:2:4:4:	3:4:2:	4:3:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-3:C[5]-4:N[6]-2:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6])	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,1|S<4>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6]){2|O<1>,3|C<3>}	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O){1|C<3>,1|N<2>}	102.3130	0.000	1	102.3130	0.000	1	102.3130	0.000	1	102.3130	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:3:2:2:	3:4:4:	4:3:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){1|C<3>,3|C<4>}	103.1750	0.000	1	103.1750	0.000	1	103.1750	0.000	1	103.1750	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	O[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H){2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	O[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O){2|C<3>,3|C<4>}	103.1162	0.618	4	103.1162	0.382	4	103.1162	0.382	4	103.1162	0.382	4	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:4:2:1:	3:4:4:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O){1|C<3>,4|C<4>}	104.7440	0.000	2	104.7440	0.000	2	104.7440	0.000	2	104.2370	0.771	3	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:4:2:1:	3:4:4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O)	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[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>}	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O){1|H<1>,4|C<4>}	103.2230	0.000	1	103.2230	0.000	1	103.2230	0.000	1	104.2370	0.771	3	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:4:2:2:	3:4:4:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){1|C<3>,4|C<4>}	102.5450	0.000	1	102.4425	0.021	2	102.4425	0.021	2	102.4425	0.021	2	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	3:4:2:2:	3:4:4:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){5|C<4>}	102.3400	0.000	1	102.4425	0.021	2	102.4425	0.021	2	102.4425	0.021	2	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5,6]	O[5]	4:3:2:1:	4:3:4:	4:3:	C[5,5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,6]2O[5,5])(C[5,6]C[5,6]C[6])(O[5]C[5])(H)	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	O[5](C[5]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)	C[5](C[5,5,6]C[5,6]2O[5,5])(C[5,6]C[5,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5]C[5,5,6]C[5,6]H)(C[5]C[5,6]O){1|O<2>,4|C<4>}	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1	103.7932	0.862	53	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	105.2310	0.000	1	105.2310	0.000	1	105.2310	0.000	1	105.2310	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	3:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>}	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O){1|O<2>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<1>}	105.4580	0.000	1	105.4580	0.000	1	105.4580	0.000	1	105.4580	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:2:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<2>}	104.6345	0.128	2	104.6345	0.016	2	104.6345	0.016	2	104.3388	0.123	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:2:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>}	104.0430	0.064	2	104.0430	0.004	2	104.0430	0.004	2	104.3388	0.123	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>}	104.4778	0.160	4	104.4778	0.026	4	104.4688	0.020	5	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN){1|O<1>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>}	104.4330	0.000	1	104.4330	0.000	1	104.4688	0.020	5	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	104.1660	0.618	2	104.1660	0.382	2	104.1660	0.382	2	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>}	105.8463	0.647	6	105.8463	0.418	6	105.8463	0.418	6	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH)	O[5](C[5]C[5]HH)(C[5]N[5]Mn)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH){1|Mn<6>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]N[5]Mn){2|C<3>}	103.4560	0.000	1	103.4560	0.000	1	104.1180	0.876	2	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH){1|S<1>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]N[5]S){2|C<3>}	104.7800	0.000	1	104.7800	0.000	1	104.1180	0.876	2	104.9755	0.830	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	3:4:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	104.8390	0.000	1	104.8390	0.000	1	104.8390	0.000	1	104.8390	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:2:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CBH)	O[5](C[5]C[5]HH)(C[5]O[5]N)	C[5](C[5]O[5]C)(O[5]C[5])(H)2{1|N<3>}	C[5](C[5]O[5]HH)(O[5]C[5])(CBH){1|N<3>}	O[5](C[5]C[5]HH)(C[5]O[5]N){1|C<3>}	103.3585	0.499	2	103.3585	0.249	2	103.6083	0.312	3	104.9797	7.731	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:2:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCH){1|O<1>}	O[5](C[5]C[5]HH)(C[5]O[5]O){1|C<3>}	104.1080	0.000	1	104.1080	0.000	1	103.6083	0.312	3	104.9797	7.731	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:2:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]S[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(S[5]C[5])(CC[6a]H)	O[5](C[5]C[5]HH)(C[5]S[5]N)	C[5](C[5]S[5]C)(O[5]C[5])(H)2{1|N<2>}	C[5](C[5]O[5]HH)(S[5]C[5])(CC[6a]H){1|N<2>}	O[5](C[5]C[5]HH)(C[5]S[5]N){1|C<3>}	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	104.9797	7.731	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	104.4735	0.098	2	104.4735	0.010	2	104.4483	0.174	12	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|H<1>}	104.2120	0.000	1	104.4433	0.211	10	104.4483	0.174	12	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	104.4690	0.479	9	104.4433	0.211	10	104.4483	0.174	12	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]2)(O)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>}	105.0780	0.000	1	105.0780	0.000	1	105.4676	0.112	7	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	O[5](C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	O[5](C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|O<1>}	105.8290	0.000	1	105.5528	0.157	4	105.4676	0.112	7	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	O[5](C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	O[5](C[5]C[5]HH)(C[5]C[5]N){1|C<4>,1|O<1>}	105.4607	0.430	3	105.5528	0.157	4	105.4676	0.112	7	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<1>}	105.4010	0.000	1	105.4920	0.017	2	105.4676	0.112	7	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>}	105.5830	0.000	1	105.4920	0.017	2	105.4676	0.112	7	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|S<1>}	O[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,1|O<1>}	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	105.3755	6.464	20	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:2:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-2:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	O[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	O[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>}	104.6060	0.000	1	104.6060	0.000	1	104.6060	0.000	1	104.6060	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	106.0030	0.000	1	106.0030	0.000	1	105.8003	0.312	3	105.4094	0.449	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|H<1>}	105.1690	0.000	1	105.1690	0.000	1	105.8003	0.312	3	105.4094	0.449	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|S<4>}	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH){1|C<4>}	O[5](C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|S<4>}	106.2290	0.000	1	106.2290	0.000	1	105.8003	0.312	3	105.4094	0.449	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>}	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	105.4094	0.449	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrH)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrH){1|O<1>}	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|S<4>}	104.7040	0.000	1	104.7040	0.000	1	104.7040	0.000	1	105.4094	0.449	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	105.5440	0.000	1	105.5440	0.000	1	105.2833	0.032	4	105.2380	0.030	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	105.1963	0.045	3	105.1963	0.002	3	105.2833	0.032	4	105.2380	0.030	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	105.3540	0.000	1	105.3540	0.000	1	105.1777	0.032	3	105.2380	0.030	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	104.9980	0.000	1	105.0895	0.017	2	105.1777	0.032	3	105.2380	0.030	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	105.1810	0.000	1	105.0895	0.017	2	105.1777	0.032	3	105.2380	0.030	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	O[5](C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>}	O[5](C[5]C[5]HH)(C[5]C[5]H){3|H<1>}	102.2660	0.000	1	102.2660	0.000	1	102.2660	0.000	1	102.2660	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	3:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<3>,2|C<4>}	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<4>}	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	105.1506	0.471	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	105.2289	0.750	14	105.2289	0.563	14	105.1930	0.466	17	105.1506	0.471	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<4>}	105.0630	0.194	2	105.0630	0.038	2	105.1930	0.466	17	105.1506	0.471	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	104.9510	0.000	1	104.9510	0.000	1	105.1930	0.466	17	105.1506	0.471	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:1:1:	4:4:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>}	106.3700	0.000	1	106.3700	0.000	1	106.3700	0.000	1	106.3700	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	3:4:1:	3:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|H<1>,1|O<1>,2|C<3>}	104.7140	0.000	1	104.7140	0.000	1	104.7140	0.000	1	104.7140	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]2)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	103.7820	0.000	1	103.7820	0.000	1	104.4603	0.193	8	104.4603	0.193	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	104.7204	0.252	5	104.7204	0.064	5	104.4603	0.193	8	104.4603	0.193	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	103.9220	0.000	1	103.9220	0.000	1	104.4603	0.193	8	104.4603	0.193	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|H<1>}	104.3760	0.000	1	104.3760	0.000	1	104.4603	0.193	8	104.4603	0.193	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:2:	4:3:	C[5]-3:O[5]-2:S-2:H-1:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H)	C[5](C[5]O[5]HS)(C[5]C[5]H)(CC[6a])	O[5](C[5]C[5]HS)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HS)(C[5]C[5]H)(CC[6a]){1|O<1>}	O[5](C[5]C[5]HS)(C[5]C[5]O){1|C<2>,1|H<1>}	104.2220	0.000	1	104.2220	0.000	1	104.2220	0.000	1	104.2220	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	105.7330	0.000	1	105.7330	0.000	1	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	103.7340	0.000	1	103.7340	0.000	1	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	104.1950	0.000	1	104.1950	0.000	1	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	105.0730	0.000	1	105.0730	0.000	1	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	104.1560	0.381	3	104.1560	0.145	3	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	105.0465	0.046	2	105.0465	0.002	2	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	104.1110	0.016	2	104.1110	0.000	2	104.5016	0.408	11	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	104.0020	0.000	1	104.0020	0.000	1	104.6440	0.195	4	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	104.8580	0.131	3	104.8580	0.017	3	104.6440	0.195	4	104.5695	0.329	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	104.5290	0.000	1	104.5290	0.000	1	104.2247	0.215	7	104.2247	0.215	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	104.6350	0.223	2	104.6350	0.050	2	104.2247	0.215	7	104.2247	0.215	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>}	104.5500	0.000	1	104.5500	0.000	1	104.2247	0.215	7	104.2247	0.215	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	103.6910	0.000	1	103.6910	0.000	1	104.2247	0.215	7	104.2247	0.215	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	103.7665	0.039	2	103.7665	0.002	2	104.2247	0.215	7	104.2247	0.215	7	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:2:2:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	C[5](C[5]O[5]CO)(C[5]C[5]H)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(O){1|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	104.5210	0.000	1	104.5210	0.000	1	104.5210	0.000	1	104.5210	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:1:	3:3:4:	4:3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>}	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.6260	0.000	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:1:	3:3:4:	4:3:	C[5]-3:O[5]-2:N-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	O[5](C[5]C[5]HN)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]HN)(C[5]C[5]O){2|C<3>}	104.6310	0.000	1	104.6310	0.000	1	104.6310	0.000	1	104.6260	0.000	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:1:	3:4:3:	3:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	105.7050	0.000	1	105.7050	0.000	1	105.7050	0.000	1	105.5710	0.036	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:1:	3:4:3:	3:4:	C[5]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|H<1>,3|C<3>}	105.4370	0.000	1	105.4370	0.000	1	105.4370	0.000	1	105.5710	0.036	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>}	104.7460	0.076	5	104.7460	0.006	5	104.7460	0.006	5	104.7460	0.006	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	104.6720	0.000	1	104.6720	0.000	1	104.6720	0.000	1	104.6720	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:3:	3:4:3:	3:4:	C[5]-3:O[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	106.0500	0.000	1	106.0500	0.000	1	106.0500	0.000	1	106.0500	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:3:3:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|H<1>}	103.8140	0.000	1	103.8140	0.000	1	103.8140	0.000	1	103.8140	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	105.1700	0.000	1	105.1700	0.000	1	104.9270	0.118	2	104.9270	0.118	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	104.6840	0.000	1	104.6840	0.000	1	104.9270	0.118	2	104.9270	0.118	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|O<1>}	104.0320	0.000	1	104.0320	0.000	1	103.9663	0.055	3	103.9663	0.055	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|O<1>}	103.9335	0.320	2	103.9335	0.103	2	103.9663	0.055	3	103.9663	0.055	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	3:4:2:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC){1|O<1>,2|C<3>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>}	103.3530	0.000	1	103.3530	0.000	1	103.3530	0.000	1	103.3530	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:2:3:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	102.5680	0.000	1	102.5680	0.000	1	102.1945	0.279	2	102.1945	0.279	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:2:3:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	101.8210	0.000	1	101.8210	0.000	1	102.1945	0.279	2	102.1945	0.279	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	103.0300	0.000	1	103.0300	0.000	1	103.0300	0.000	1	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	103.5250	0.180	2	103.5250	0.032	2	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	102.9855	0.257	4	102.9855	0.066	4	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	104.1620	0.368	2	104.1620	0.135	2	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	104.0330	0.000	1	104.0330	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	103.3693	0.550	7	103.3693	0.303	7	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.3430	0.000	1	103.3430	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	104.0520	0.000	1	104.0520	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	104.5070	0.218	3	104.5070	0.047	3	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	104.1100	0.000	1	104.1100	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	103.8388	0.587	5	103.8388	0.344	5	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.9290	0.000	1	103.9290	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	103.5640	0.260	2	103.5640	0.068	2	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|H<1>}	103.7844	0.135	5	103.8257	0.025	6	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	104.0320	0.000	1	103.8257	0.025	6	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	103.4070	0.000	1	103.4070	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	104.0823	0.262	3	104.0823	0.068	3	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.8715	0.141	2	103.8715	0.020	2	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	102.8760	0.000	1	102.8760	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.9050	0.000	1	103.9050	0.000	1	103.7123	0.264	44	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O){1|C<3>,1|O<1>,1|O<2>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>}	104.7060	0.455	2	104.7060	0.207	2	104.9726	0.201	5	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<2>,1|O<1>}	104.8790	0.000	1	105.1503	0.179	3	104.9726	0.201	5	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<4>,1|O<1>}	105.2860	0.498	2	105.1503	0.179	3	104.9726	0.201	5	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H)	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br)	O[5](C[5]C[5]HS)(C[5]C[5]O)	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br){1|O<1>}	O[5](C[5]C[5]HS)(C[5]C[5]O){2|Br<1>}	105.3060	0.000	1	105.3060	0.000	1	105.3060	0.000	1	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	O[5](C[5]C[5]HS)(C[5]C[5]O)	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	O[5](C[5]C[5]HS)(C[5]C[5]O){2|Cl<1>}	105.0900	0.212	3	105.0900	0.045	3	105.0900	0.045	3	103.9224	0.500	54	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:2:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|O<2>}	104.1530	0.000	1	104.1530	0.000	1	103.9794	0.219	15	103.9794	0.219	15	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:2:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|O<2>}	103.9670	0.483	14	103.9670	0.234	14	103.9794	0.219	15	103.9794	0.219	15	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>}	104.1450	0.000	1	104.1450	0.000	1	103.9747	0.045	3	104.2578	0.350	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	103.8895	0.214	2	103.8895	0.046	2	103.9747	0.045	3	104.2578	0.350	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<4>}	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	104.2578	0.350	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:1:	4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>}	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|H<1>,2|C<3>}	103.2680	0.000	1	102.7345	0.569	2	102.7345	0.569	2	104.1518	1.603	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){2|C<3>,2|H<1>}	102.2010	0.000	1	102.7345	0.569	2	102.7345	0.569	2	104.1518	1.603	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O){3|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	103.9250	0.038	2	103.9250	0.001	2	103.9250	0.001	2	104.1518	1.603	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	105.2848	1.020	5	105.2848	1.040	5	104.5172	1.668	9	104.1518	1.603	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	103.5577	0.923	4	103.5577	0.853	4	104.5172	1.668	9	104.1518	1.603	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn)	O[5](C[5]C[5]CO)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn){1|C<3>}	O[5](C[5]C[5]CO)(C[5]N[5]C){1|Zn<5>,1|C<3>}	103.2170	0.000	1	103.2170	0.000	1	103.2170	0.000	1	103.9135	0.970	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<3>,1|C<4>}	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	103.9135	0.970	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	C[5](C[5]O[5]CO)(C[5]C[5]H)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(H){1|C<3>}	O[5](C[5]C[5]CO)(C[5]C[5]C){2|H<1>}	102.1780	0.000	1	102.1780	0.000	1	102.5037	0.521	3	102.5105	0.348	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	102.0020	0.000	1	102.0020	0.000	1	102.5037	0.521	3	102.5105	0.348	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]2)(H)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	103.3310	0.000	1	103.3310	0.000	1	102.5037	0.521	3	102.5105	0.348	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(O)	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(O){1|C<4>}	O[5](C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>}	102.5310	0.000	1	102.5310	0.000	1	102.5310	0.000	1	102.5105	0.348	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	4:4:3:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	O[5](C[5]C[5]CO)(C[5]C[5]O){2|C<4>}	103.4390	0.000	1	103.4390	0.000	1	103.4390	0.000	1	103.6865	0.123	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:2:	4:4:3:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	103.9340	0.000	1	103.9340	0.000	1	103.9340	0.000	1	103.6865	0.123	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	105.7550	0.000	1	105.7550	0.000	1	105.0597	0.364	3	105.0597	0.364	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	104.7120	0.045	2	104.7120	0.002	2	105.0597	0.364	3	105.0597	0.364	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|O<1>}	102.7770	0.000	1	102.7770	0.000	1	102.7770	0.000	1	102.7770	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	4:2:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	101.1600	0.000	1	101.1600	0.000	1	101.1600	0.000	1	101.1600	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	O[5](C[5]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	O[5](C[5]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.9670	0.000	1	103.9670	0.000	1	103.9670	0.000	1	103.9670	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO){1|O<1>,1|O<2>}	C[5](C[5]O[5]CC)(C[5]C[5]O)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<2>}	104.6013	0.220	4	104.6013	0.048	4	104.6013	0.048	4	104.3260	0.415	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:3:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	O[5](C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	O[5](C[5]C[5]CC)(C[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.2250	0.000	1	103.2250	0.000	1	103.2250	0.000	1	104.3260	0.415	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:3:4:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]O){2|C<3>}	103.2820	0.000	1	103.2820	0.000	1	103.2820	0.000	1	103.2820	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>}	104.7280	0.000	1	104.7280	0.000	1	104.7895	0.025	8	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	104.8070	0.000	1	104.8070	0.000	1	104.7895	0.025	8	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	104.8193	0.211	3	104.8193	0.044	3	104.7895	0.025	8	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	104.7385	0.267	2	104.7385	0.071	2	104.7895	0.025	8	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<1>,1|O<2>,2|C<3>}	104.8460	0.000	1	104.8460	0.000	1	104.7895	0.025	8	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:S-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CS)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CS){1|O<1>,3|C<3>}	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)	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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	104.6940	0.192	2	104.6940	0.037	2	104.6940	0.037	2	104.8802	0.155	11	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|H<1>}	102.3215	0.016	2	102.3215	0.000	2	102.3215	0.000	2	102.3685	0.385	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|O<1>}	102.4155	1.070	2	102.4155	1.145	2	102.4155	1.145	2	102.3685	0.385	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:2:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5])	O[5](C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2{1|C<3>}	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5]){1|C<3>}	O[5](C[5]C[5]CC)(C[5]N[5]C){1|C<3>}	100.8430	0.000	1	100.8430	0.000	1	100.8430	0.000	1	102.2235	1.447	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:2:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-4:C-2:	C[5]-4:B[5]-3:	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC)	O[5](C[5]C[5]CC)(B[5]C[5]O)	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC){1|O<2>,2|C<3>}	O[5](C[5]C[5]CC)(B[5]C[5]O){1|C<2>,1|C<3>}	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	102.2235	1.447	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:2:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	102.1700	0.000	1	102.1700	0.000	1	102.1365	0.002	2	102.2235	1.447	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:2:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	102.1030	0.000	1	102.1030	0.000	1	102.1365	0.002	2	102.2235	1.447	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<2>,3|C<3>}	104.4530	0.000	1	104.4530	0.000	1	104.4158	0.139	6	104.4158	0.139	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	104.1565	0.465	2	104.1565	0.216	2	104.4158	0.139	6	104.4158	0.139	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	104.5500	0.000	1	104.5500	0.000	1	104.4158	0.139	6	104.4158	0.139	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	104.5895	0.515	2	104.5895	0.266	2	104.4158	0.139	6	104.4158	0.139	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|H<1>}	103.1040	0.000	1	103.1040	0.000	1	103.0030	0.011	3	102.7272	0.178	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<2>,1|C<3>}	102.9525	0.084	2	102.9525	0.007	2	103.0030	0.011	3	102.7272	0.178	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	102.1410	0.000	1	102.1410	0.000	1	102.4513	0.205	3	102.7272	0.178	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	102.2420	0.000	1	102.2420	0.000	1	102.4513	0.205	3	102.7272	0.178	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	102.9710	0.000	1	102.9710	0.000	1	102.4513	0.205	3	102.7272	0.178	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:2:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	100.6890	0.000	1	100.6890	0.000	1	100.9550	0.142	2	100.9550	0.142	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:2:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	101.2210	0.000	1	101.2210	0.000	1	100.9550	0.142	2	100.9550	0.142	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:2:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|O<1>}	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<3>}	100.9310	0.000	1	100.9310	0.000	1	100.9310	0.000	1	100.9310	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:2:4:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<3>}	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,1|C<4>}	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:2:4:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:	C[5]-4:B[5]-3:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<4>}	O[5](C[5]C[5]CC)(B[5]O[5]C){1|C<4>}	105.6750	0.000	1	105.6750	0.000	1	105.6750	0.000	1	105.6750	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	103.7200	0.000	1	103.7200	0.000	1	103.7200	0.000	1	103.7200	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]2){2|C<3>,2|H<1>}	101.7005	0.062	2	101.7005	0.004	2	102.1333	0.357	9	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	102.9270	0.000	1	102.9270	0.000	1	102.1333	0.357	9	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	102.9950	0.000	1	102.9950	0.000	1	102.1333	0.357	9	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|Br<1>,1|H<1>}	102.3650	0.000	1	102.3650	0.000	1	102.1333	0.357	9	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<2>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	101.7905	0.166	2	101.7905	0.028	2	102.1333	0.357	9	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){2|H<1>}	101.9655	0.855	2	101.9655	0.731	2	102.1333	0.357	9	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<4>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|H<1>,1|O<1>}	103.5070	0.000	1	103.5070	0.000	1	103.5070	0.000	1	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	C[5](C[5]O[5]CC)(N[5]C[5]H)(O)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	C[5](C[5]O[5]CC)(N[5]C[5]H)(O){1|O<1>}	O[5](C[5]C[5]CC)(C[5]N[5]O){1|H<1>,1|O<1>}	102.5880	0.000	1	102.5880	0.000	1	102.7780	0.072	2	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	C[5](C[5]O[5]CC)(N[5]C[5]C)(O)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	C[5](C[5]O[5]CC)(N[5]C[5]C)(O){1|O<1>}	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|O<1>}	102.9680	0.000	1	102.9680	0.000	1	102.7780	0.072	2	102.3552	0.459	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:2:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	102.6290	0.000	1	102.6290	0.000	1	102.6290	0.000	1	102.6290	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>}	102.8030	0.000	1	102.8030	0.000	1	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<2>,1|C<3>}	102.8676	0.486	20	102.8676	0.237	20	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<2>,1|C<3>}	103.3660	0.000	1	103.3660	0.000	1	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<2>,1|C<3>}	102.2920	0.000	1	102.2920	0.000	1	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|S<2>}	102.0770	0.000	1	102.5957	0.223	3	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|S<4>}	102.8550	0.208	2	102.5957	0.223	3	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|S<4>}	103.7620	0.000	1	103.7620	0.000	1	102.8652	0.252	27	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	102.8300	0.000	1	102.8300	0.000	1	102.8300	0.000	1	102.8640	0.242	28	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:3:4:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,1|S<2>}	102.2500	0.000	1	102.2500	0.000	1	102.2500	0.000	1	102.2500	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:2:4:4:	4:4:3:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:C-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	O[5](C[5]C[5,5]O)(C[5]C[5]CC)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	O[5](C[5]C[5,5]O)(C[5]C[5]CC){3|C<3>}	103.5400	0.000	1	103.5400	0.000	1	103.5400	0.000	1	103.5400	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:3:	C[5a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O)	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	103.2320	0.000	1	103.2320	0.000	1	103.2320	0.000	1	103.4274	0.818	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(H){3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	104.9080	0.000	1	104.9080	0.000	1	104.9080	0.000	1	103.4274	0.818	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:I-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|I<1>,2|C<3>}	102.4680	0.000	1	102.4680	0.000	1	102.4680	0.000	1	103.4274	0.818	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(O)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	103.2645	0.260	2	103.2645	0.067	2	103.2645	0.067	2	103.4274	0.818	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	104.7380	0.000	1	104.7380	0.000	1	104.2690	0.440	2	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,3|C<3>}	103.8000	0.000	1	103.8000	0.000	1	104.2690	0.440	2	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	104.4450	0.000	1	104.4450	0.000	1	104.4442	0.253	5	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	103.8430	0.000	1	104.3745	0.565	2	104.4442	0.253	5	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>}	104.9060	0.000	1	104.3745	0.565	2	104.4442	0.253	5	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH){3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){6|C<3>}	104.9750	0.000	1	104.9750	0.000	1	104.4442	0.253	5	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(COO){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,3|C<3>}	104.0520	0.000	1	104.0520	0.000	1	104.4442	0.253	5	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	103.2015	0.158	6	103.2015	0.025	6	103.2015	0.025	6	103.8437	0.518	13	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:3:4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>}	104.3010	0.000	1	104.3010	0.000	1	104.3010	0.000	1	104.3010	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6]OO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6]OO){1|N<3>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N){1|H<1>,1|S<4>,3|C<3>}	111.6950	0.000	1	111.6950	0.000	1	111.1400	0.616	2	111.1400	0.616	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|N<3>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N){1|H<1>,1|S<4>,3|C<3>}	110.5850	0.000	1	110.5850	0.000	1	111.1400	0.616	2	111.1400	0.616	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	3:4:1:	3:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O){5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O){1|H<1>,1|O<1>,4|C<3>}	103.5005	0.268	2	103.5005	0.072	2	103.5005	0.072	2	103.5005	0.072	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C){1|O<1>,3|C<3>}	103.4890	0.000	1	103.4890	0.000	1	102.9343	0.231	3	102.9343	0.231	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O)	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O){5|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){1|O<1>,5|C<3>}	102.6570	0.000	2	102.6570	0.000	2	102.9343	0.231	3	102.9343	0.231	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[5,6]-3:C-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH){6|C<3>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O){1|C<4>,5|C<3>}	104.1160	0.000	1	104.1160	0.000	1	104.1160	0.000	1	104.1160	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]O){4|C<3>}	103.5280	0.000	1	103.5280	0.000	1	103.5280	0.000	1	103.4405	0.015	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH)	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH){3|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){6|C<3>}	103.3530	0.000	1	103.3530	0.000	1	103.3530	0.000	1	103.4405	0.015	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:3:	3:4:1:	3:4:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N){1|H<1>,1|O<1>,4|C<3>}	103.6130	0.000	1	103.6130	0.000	1	103.6130	0.000	1	103.6130	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:3:	3:4:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|H<1>,5|C<3>}	103.8897	0.730	4	103.8897	0.532	4	103.8897	0.532	4	104.0302	0.498	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:3:	3:4:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N){1|H<1>,5|C<3>}	104.5920	0.000	1	104.5920	0.000	1	104.5920	0.000	1	104.0302	0.498	5	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:3:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	103.2120	0.000	1	103.2120	0.000	1	103.2120	0.000	1	103.2120	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<3>,2|H<1>}	103.1165	0.008	2	103.1165	0.000	2	103.1165	0.000	2	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H)	O[5](C[5]C[5a]C[5]C)(C[5]C[5]N)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,1|S<2>,3|C<3>}	O[5](C[5]C[5a]C[5]C)(C[5]C[5]N){1|H<1>,1|S<2>,2|C<3>}	104.5130	0.000	1	104.5130	0.000	1	104.5130	0.000	1	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	102.8040	0.000	1	102.8040	0.000	1	103.5540	0.350	6	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|O<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	103.0670	0.000	1	103.0670	0.000	1	103.5540	0.350	6	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N){1|H<1>,3|C<3>}	103.8632	0.436	4	103.8632	0.190	4	103.5540	0.350	6	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,1|S<4>,2|C<3>}	102.8980	0.000	1	102.8980	0.000	1	102.5913	0.786	3	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	101.5920	0.000	1	101.5920	0.000	1	102.5913	0.786	3	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,1|S<4>,2|C<3>}	103.2840	0.000	1	103.2840	0.000	1	102.5913	0.786	3	103.3203	0.614	12	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){4|C<3>}	103.5610	0.000	1	103.5610	0.000	1	103.7403	0.436	4	103.6450	0.341	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){4|C<3>}	103.0060	0.000	1	103.0060	0.000	1	103.7403	0.436	4	103.6450	0.341	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){4|C<3>}	104.1970	0.564	2	104.1970	0.318	2	103.7403	0.436	4	103.6450	0.341	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){1|N<2>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N){4|C<3>}	103.0750	0.000	1	103.0750	0.000	1	103.4545	0.288	2	103.6450	0.341	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH){3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){6|C<3>}	103.8340	0.000	1	103.8340	0.000	1	103.4545	0.288	2	103.6450	0.341	6	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,7|C<3>}	103.4840	0.000	1	103.4840	0.000	1	103.4840	0.000	1	103.4840	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:3:2:	3:4:1:	3:4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2O[5])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2O[5])(O){1|O<1>,2|C<4>,4|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	103.2840	0.000	1	103.2840	0.000	1	103.2840	0.000	1	104.1205	1.399	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:3:2:	3:4:1:	3:4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O){1|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,1|O<1>,6|C<3>}	104.9570	0.000	1	104.9570	0.000	1	104.9570	0.000	1	104.1205	1.399	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:3:2:	4:3:4:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3)	O[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3){5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|C<2>,1|C<4>,4|C<3>}	102.2773	0.142	3	102.2773	0.020	3	102.2773	0.020	3	102.2773	0.020	3	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:4:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	102.8990	0.000	1	102.8990	0.000	1	102.9357	0.181	3	102.9395	0.121	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:4:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	102.5300	0.000	1	102.5300	0.000	1	102.9357	0.181	3	102.9395	0.121	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:4:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	103.3780	0.000	1	103.3780	0.000	1	102.9357	0.181	3	102.9395	0.121	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:3:4:2:	4:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(O)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>}	102.9510	0.000	1	102.9510	0.000	1	102.9510	0.000	1	102.9395	0.121	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	3:3:4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>}	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|N<3>}	104.4940	0.000	1	104.4940	0.000	1	104.4940	0.000	1	104.7560	0.137	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>}	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	104.7560	0.137	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	3:4:4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>}	104.6440	0.000	1	104.6440	0.000	1	104.6440	0.000	1	104.6440	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:2:3:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	101.6250	0.000	1	101.6250	0.000	1	101.6250	0.000	1	101.6250	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.9820	0.000	1	103.9820	0.000	1	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	104.3480	0.000	1	104.3480	0.000	1	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|Br<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	104.5460	0.000	1	104.5460	0.000	1	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.5162	0.362	4	103.5162	0.131	4	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]S)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<2>}	C[5](C[5]O[5]CH)(C[5]C[5]S)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|S<2>}	103.9250	0.260	3	103.9250	0.068	3	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.8110	0.000	1	103.8110	0.000	1	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	104.1582	0.197	8	104.1582	0.039	8	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	103.9085	0.141	2	103.9085	0.020	2	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	104.5240	0.000	1	104.5240	0.000	1	104.0061	0.129	22	104.0061	0.129	22	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:2:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<2>,1|C<4>}	103.8360	0.000	1	103.8360	0.000	1	103.8360	0.000	1	103.8360	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H){1|O<1>}	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|N<3>}	104.8950	0.231	2	104.8950	0.053	2	104.8950	0.053	2	104.8950	0.053	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:3:	3:4:3:	4:3:	C[5]-3:C-4:O[5]-2:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	104.4710	0.181	2	104.4710	0.033	2	104.4710	0.033	2	104.4710	0.033	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	100.8550	0.000	1	100.8550	0.000	1	100.9917	0.198	4	100.9917	0.198	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	100.9730	0.737	2	100.9730	0.543	2	100.9917	0.198	4	100.9917	0.198	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:2:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	101.1660	0.000	1	101.1660	0.000	1	100.9917	0.198	4	100.9917	0.198	4	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:3:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	102.9280	0.000	1	102.9280	0.000	1	102.9280	0.000	1	102.9280	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	102.5610	0.000	1	102.5610	0.000	1	102.7622	0.185	8	102.7622	0.185	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	101.8650	0.000	1	101.8650	0.000	1	102.7622	0.185	8	102.7622	0.185	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	103.2660	0.000	1	103.2660	0.000	1	102.7622	0.185	8	102.7622	0.185	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:2:4:	4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	102.8812	0.176	5	102.8812	0.031	5	102.7622	0.185	8	102.7622	0.185	8	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]H)(H)	O[5](C[5]C[6a]C[5]2)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]2)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	103.4720	0.000	1	103.4720	0.000	1	103.4720	0.000	1	103.4720	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	3:4:4:2:	4:2:1:	3:4:	C[5]-3:C-4:C-4:O[5]-2:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5])	C[5](C[5]O[5]CC)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5]){1|C<3>}	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	101.2210	0.000	1	101.2210	0.000	1	101.2210	0.000	1	101.2210	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	103.8990	0.000	1	103.8990	0.000	1	103.8232	0.061	6	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[3]C[5])(H)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[3]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	104.1040	0.000	1	104.1040	0.000	1	103.8232	0.061	6	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	103.6430	0.000	1	103.6103	0.003	3	103.8232	0.061	6	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	103.5440	0.000	1	103.6103	0.003	3	103.8232	0.061	6	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	103.6440	0.000	1	103.6103	0.003	3	103.8232	0.061	6	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	104.1050	0.000	1	104.1050	0.000	1	103.8232	0.061	6	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br){1|O<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	102.0740	0.000	1	102.0740	0.000	1	102.0740	0.000	1	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<3>,3|H<1>}	103.9290	0.000	1	103.9290	0.000	1	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,3|H<1>}	103.5340	0.000	1	103.9010	0.269	2	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,3|H<1>}	104.2680	0.000	1	103.9010	0.269	2	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	103.1660	0.000	1	103.1660	0.000	1	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	102.5120	1.515	2	102.8773	1.547	3	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<4>,3|H<1>}	103.6080	0.000	1	102.8773	1.547	3	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	103.1400	0.000	1	103.1400	0.000	1	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	103.4870	0.000	1	103.4870	0.000	1	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	104.8670	0.000	1	104.8670	0.000	1	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	103.4510	0.000	1	103.4510	0.000	1	103.4976	0.715	11	103.5271	0.594	18	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH)	O[5](C[5]C[5]C[6]H)(C[5]N[5]O)	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[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>}	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	104.3170	0.000	1	104.3170	0.000	1	104.3170	0.000	1	104.3170	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3)	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	104.5050	0.000	1	104.5050	0.000	1	104.5050	0.000	1	104.2030	0.182	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:1:	4:3:4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	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[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	104.2030	0.182	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:2:	3:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]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[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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	103.9820	0.000	1	103.9820	0.000	1	103.9820	0.000	1	103.9820	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	O[5](C[5]C[5]2O)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5]C[5]2O)(C[5]C[5]O){2|C<4>,3|H<1>}	103.5200	0.000	1	103.5200	0.000	1	103.5200	0.000	1	103.5200	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:3:	3:4:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O){1|H<1>,1|N<3>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	105.8880	0.590	2	105.8880	0.348	2	105.8880	0.348	2	105.8880	0.348	2	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	3:4:3:	3:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){2|H<1>,5|C<3>}	104.5060	0.000	1	104.5060	0.000	1	104.5060	0.000	1	104.5060	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:2:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(N[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O[5]C)(N[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	102.0030	0.000	1	102.0030	0.000	1	102.0030	0.000	1	102.0030	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	103.3140	0.000	1	103.3140	0.000	1	103.3140	0.000	1	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	O[5](C[5]C[5]2C)(C[5]C[5]O){2|H<1>,3|C<3>}	102.2570	0.000	1	102.2570	0.000	1	102.5239	0.184	9	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>}	O[5](C[5]C[5]2C)(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	103.4090	0.000	1	103.4090	0.000	1	102.5239	0.184	9	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[5](C[5]C[5]2C)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	102.2620	0.000	1	102.3535	0.131	4	102.5239	0.184	9	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<4>,3|H<1>}	102.3840	0.437	3	102.3535	0.131	4	102.5239	0.184	9	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	102.4275	0.168	2	102.4275	0.028	2	102.5239	0.184	9	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	102.7800	0.000	1	102.7800	0.000	1	102.5239	0.184	9	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]O)	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[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5]C[6]C)(C[5]C[5]O){2|C<3>,3|H<1>}	102.7415	0.337	2	102.7415	0.114	2	103.1290	0.137	6	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]O)	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[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>}	O[5](C[5]C[5]C[6]C)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>}	103.3227	0.200	4	103.3227	0.040	4	103.1290	0.137	6	102.8002	0.251	16	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:3:4:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	103.2880	0.000	1	103.2880	0.000	1	103.2880	0.000	1	103.2880	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:2:4:	4:4:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,3|H<1>}	105.7230	0.000	1	105.7230	0.000	1	105.7230	0.000	1	105.7230	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP2	C[5]	C[5]	O[5]	4:3:4:2:	4:2:1:	4:3:	C[6]-4:C[5]-3:C-4:O[5]-2:	C[5]-4:N[5]-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[6]O[5]C)(N[5]C[5])(O)	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5])	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[5](C[5]C[6]O[5]C)(N[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	101.5570	0.000	1	101.5570	0.000	1	101.5570	0.000	1	101.5570	0.000	1	103.9429	1.805	480	103.9247	1.700	778
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5,6]H)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5,6]H){1|O<2>,4|C<4>,4|H<1>}	101.9450	0.000	1	101.9450	0.000	1	101.7085	0.112	2	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	101.4720	0.000	1	101.4720	0.000	1	101.7085	0.112	2	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	O[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	101.6240	0.000	1	101.6240	0.000	1	101.6240	0.000	1	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|N<3>,6|H<1>}	101.6550	0.276	2	101.6550	0.076	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|S<4>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|S<4>,6|H<1>}	102.4850	0.000	1	102.3035	0.066	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|S<2>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|S<2>,6|H<1>}	102.1220	0.000	1	102.3035	0.066	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,5|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	101.9580	0.000	1	101.9580	0.000	1	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){1|O<1>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	102.2960	0.000	1	102.2960	0.000	1	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	101.5310	1.089	2	101.5310	1.186	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	101.7940	0.000	1	101.7940	0.000	1	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|S<4>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|S<4>,6|H<1>}	103.0910	0.000	1	102.4700	0.771	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|S<2>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|S<2>,6|H<1>}	101.8490	0.000	1	102.4700	0.771	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	101.2060	0.000	1	101.2060	0.000	1	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	101.7010	0.624	2	101.7010	0.389	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	101.4750	0.061	2	101.9205	0.295	4	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,3|C<3>,5|H<1>}	102.3660	0.294	2	101.9205	0.295	4	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|C<4>,1|N<3>,7|H<1>}	101.9300	0.272	2	101.9300	0.074	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,2|C<3>,6|H<1>}	101.9859	0.224	8	101.9109	0.095	9	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	101.3110	0.000	1	101.9109	0.095	9	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP){1|C<3>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,1|P<4>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,1|P<4>,6|H<1>}	102.2085	0.412	2	102.2085	0.170	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH){6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|S<2>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|S<2>,2|C<4>,6|H<1>}	101.0080	0.000	1	101.0080	0.000	1	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	101.7120	0.571	2	101.7120	0.326	2	101.8872	0.238	34	101.8704	0.225	37	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	102.3130	0.000	1	102.3130	0.000	1	102.3130	0.000	1	102.3130	0.000	1	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	101.7805	0.431	2	101.7805	0.185	2	101.7805	0.185	2	102.1256	0.226	8	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){4|C<3>,5|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	102.4950	0.000	1	102.4950	0.000	1	102.4560	0.003	2	102.1256	0.226	8	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){2|C<3>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	102.4170	0.000	1	102.4170	0.000	1	102.4560	0.003	2	102.1256	0.226	8	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	101.3260	0.000	1	101.3260	0.000	1	102.0723	0.445	3	102.1256	0.226	8	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,3|C<3>,5|H<1>}	102.4455	0.233	2	102.4455	0.054	2	102.0723	0.445	3	102.1256	0.226	8	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[3x5,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	102.3150	0.000	1	102.3150	0.000	1	102.3150	0.000	1	102.1256	0.226	8	101.9244	0.228	46	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O[5,5]	3:2:3:4:	4:4:3:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,6|H<1>}	99.4227	0.000	1	99.4227	0.000	1	100.2466	0.602	3	100.2466	0.602	3	100.3808	1.732	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O[5,5]	3:2:3:4:	4:4:3:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,6|H<1>}	100.6585	0.431	2	100.6585	0.185	2	100.2466	0.602	3	100.2466	0.602	3	100.3808	1.732	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O[5,5]	3:4:2:4:	4:3:4:	4:4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,4|C<4>,4|H<1>}	102.2540	0.000	1	102.2540	0.000	1	102.2540	0.000	1	102.2540	0.000	1	100.3808	1.732	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O[5,5]	3:4:2:4:	4:4:3:	4:4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[5,6]-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,6]2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH){1|C<3>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,6|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,6]2){2|Cl<1>,3|C<3>,3|C<4>,5|H<1>}	98.9101	0.000	1	98.9101	0.000	1	98.9101	0.000	1	98.9101	0.000	1	100.3808	1.732	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,6|H<1>}	100.8460	0.000	1	100.8460	0.000	1	101.1683	0.109	3	101.1683	0.109	3	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,6|H<1>}	101.3295	0.248	2	101.3295	0.062	2	101.1683	0.109	3	101.1683	0.109	3	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	100.7248	0.233	6	100.6821	0.122	12	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	100.1084	0.166	2	100.6821	0.122	12	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	100.9048	0.241	4	100.6821	0.122	12	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-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]H)(C[6]N[6]HH)	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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	101.4000	0.000	1	101.3013	0.073	6	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-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]H)(C[6]N[6]HH)	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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	101.1880	0.566	2	101.3013	0.073	6	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-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]H)(C[6]N[6]HH)	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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	101.3440	0.036	3	101.3013	0.073	6	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-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]H)(C[6]O[6]HH)	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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|O<2>,2|C<4>,6|H<1>}	100.9253	0.732	3	100.9253	0.536	3	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-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]H)(C[6]S[6]HH)	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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,2|C<4>,6|H<1>}	101.1240	0.000	1	101.1240	0.000	1	100.9042	0.208	22	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	101.8590	0.000	1	101.8590	0.000	1	101.5540	0.224	4	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	100.9180	0.000	1	100.9180	0.000	1	101.5540	0.224	4	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	101.4760	0.000	1	101.4760	0.000	1	101.5540	0.224	4	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	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[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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<4>,1|S<4>,7|H<1>}	101.9630	0.000	1	101.9630	0.000	1	101.5540	0.224	4	101.0042	0.259	26	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:3:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:C[5,5,6]-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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	100.8810	0.000	1	100.8810	0.000	1	100.8810	0.000	1	100.8810	0.000	1	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	99.8851	0.000	1	99.9375	0.035	3	99.9068	0.027	4	99.9068	0.027	4	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	99.9638	0.255	2	99.9375	0.035	3	99.9068	0.027	4	99.9068	0.027	4	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]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]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,4|C<4>,4|H<1>}	99.8147	0.000	1	99.8147	0.000	1	99.9068	0.027	4	99.9068	0.027	4	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	100.3715	0.234	2	100.3715	0.055	2	100.3263	0.034	3	100.3263	0.034	3	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	100.2360	0.000	1	100.2360	0.000	1	100.3263	0.034	3	100.3263	0.034	3	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]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[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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,3|C<4>,5|H<1>}	100.6300	0.000	1	100.6300	0.000	1	100.6300	0.000	1	100.6300	0.000	1	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,5]	4:4:2:3:	4:3:3:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:C[5,5,6]-4:	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[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)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]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]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	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>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	100.2230	0.000	1	100.2230	0.000	1	100.2230	0.000	1	100.2230	0.000	1	100.8193	0.330	39	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,3x6]	O[5,5]	3:4:2:1:	4:3:4:	4:4:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	O[5,5](C[5,5,6]C[5,3x6]C[5,5,6]H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	O[5,5](C[5,5,6]C[5,3x6]C[5,5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	101.1670	0.031	2	101.1670	0.001	2	101.1670	0.001	2	101.1670	0.001	2	101.1670	0.001	2	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	O[5,6]	2:3:4:3:	4:4:3:	4:4:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	102.7140	0.000	1	102.7140	0.000	1	102.7140	0.000	1	102.7140	0.000	1	102.1085	0.733	2	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	O[5,6]	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,5,6]-4:N[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	O[5,6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5,6]C[5,6]C[5]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	101.5030	0.000	1	101.5030	0.000	1	101.5030	0.000	1	101.5030	0.000	1	102.1085	0.733	2	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	O[5,5]	3:2:3:4:	4:3:3:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	98.1739	0.000	1	98.1739	0.000	1	98.1739	0.000	1	98.1739	0.000	1	100.0465	1.637	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	O[5,5]	3:2:3:4:	4:3:4:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	99.2468	0.000	1	99.2468	0.000	1	99.2468	0.000	1	99.2468	0.000	1	100.0465	1.637	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	O[5,5]	3:3:2:1:	4:3:4:	4:4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{2|C<3>,2|C<4>}	100.0240	0.061	2	100.0240	0.004	2	100.0240	0.004	2	100.0240	0.004	2	100.0465	1.637	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	O[5,5]	3:3:2:3:	4:4:3:	4:4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]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)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|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>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<2>,1|C<4>,7|C<3>}	100.2872	2.341	3	100.2872	5.481	3	100.2872	5.481	3	100.2872	5.481	3	100.0465	1.637	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	O[5,5]	4:3:2:1:	3:4:4:	4:4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,6,6]-3:C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2{1|C<4>,3|C<3>,3|H<1>}	100.4035	0.029	2	100.4035	0.001	2	100.4035	0.001	2	100.4035	0.001	2	100.0465	1.637	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	O[5,5]	4:3:2:1:	4:4:3:	4:4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2{1|C<4>,3|C<3>,3|H<1>}	100.6870	0.059	2	100.6870	0.004	2	100.6870	0.004	2	100.6870	0.004	2	100.0465	1.637	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,2|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	101.5370	0.000	1	101.5370	0.000	1	101.5370	0.000	1	100.6202	0.256	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	100.3777	0.264	3	100.3777	0.070	3	100.5183	0.172	9	100.6202	0.256	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<3>,1|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<2>,2|H<1>}	100.2815	0.055	4	100.5887	0.229	6	100.5183	0.172	9	100.6202	0.256	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,3|H<1>}	101.2370	0.000	1	100.5887	0.229	6	100.5183	0.172	9	100.6202	0.256	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|N<3>,3|H<1>}	101.1690	0.000	1	100.5887	0.229	6	100.5183	0.172	9	100.6202	0.256	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:2:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<2>,2|H<1>}	99.5842	0.009	4	99.5842	0.000	4	99.5842	0.000	4	99.5842	0.000	4	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	99.4421	0.116	3	99.4421	0.014	3	99.4421	0.014	3	99.4421	0.014	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:4:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,3|H<1>}	100.6800	0.000	1	100.6800	0.000	1	100.5955	0.014	2	100.8427	0.190	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:4:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|N<3>,3|H<1>}	100.5110	0.000	1	100.5110	0.000	1	100.5955	0.014	2	100.8427	0.190	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:1:	4:4:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H)	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)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H){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>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	101.3370	0.000	1	101.3370	0.000	1	101.3370	0.000	1	100.8427	0.190	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:3:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|O<2>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	100.1040	0.000	1	100.1040	0.000	1	99.9812	0.030	2	99.9812	0.030	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:3:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO){1|O<2>,2|C<4>,3|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	99.8584	0.000	1	99.8584	0.000	1	99.9812	0.030	2	99.9812	0.030	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	100.0211	0.307	2	100.0211	0.094	2	99.8197	0.209	5	99.8197	0.209	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)2{2|C<3>,2|H<1>}	99.4543	0.535	2	99.4543	0.286	2	99.8197	0.209	5	99.8197	0.209	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	100.1480	0.000	1	100.1480	0.000	1	99.8197	0.209	5	99.8197	0.209	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	98.6196	0.000	1	98.6196	0.000	1	98.6132	0.124	5	98.6132	0.124	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	98.3661	0.000	1	98.3661	0.000	1	98.6132	0.124	5	98.6132	0.124	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)2{2|C<3>,2|H<1>}	98.9488	0.163	2	98.9488	0.026	2	98.6132	0.124	5	98.6132	0.124	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:3:3:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	98.1829	0.000	1	98.1829	0.000	1	98.6132	0.124	5	98.6132	0.124	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:4:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	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)	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|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>}	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C){1|C<3>,2|O<1>,4|C<4>}	100.2580	0.000	1	100.2580	0.000	1	100.2580	0.000	1	100.7630	0.510	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:3:4:	4:4:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	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)	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	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>}	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C){1|C<3>,2|O<1>,4|C<4>}	101.2680	0.000	1	101.2680	0.000	1	101.2680	0.000	1	100.7630	0.510	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	2:3:4:1:	3:4:4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-3:C[5,5,6]-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,4|C<4>,4|H<1>}	102.5880	0.000	1	102.5880	0.000	1	102.5880	0.000	1	102.5880	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	100.2300	0.000	1	100.2300	0.000	1	100.1506	0.100	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){2|C<3>,2|H<1>}	99.9095	0.020	2	99.9095	0.000	2	100.1506	0.100	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{2|C<3>,2|H<1>}	100.3520	0.441	2	100.3520	0.195	2	100.1506	0.100	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	101.5890	0.238	2	101.1816	0.155	5	101.1816	0.155	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	100.8230	0.000	1	101.1816	0.155	5	101.1816	0.155	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	100.9410	0.000	1	101.1816	0.155	5	101.1816	0.155	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:3:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	100.9660	0.000	1	101.1816	0.155	5	101.1816	0.155	5	100.6661	0.409	10	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:4:3:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	100.8580	0.000	1	100.8580	0.000	1	100.8408	0.063	5	100.8408	0.063	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:4:3:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCC)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCC){1|C<3>,2|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	101.1650	0.000	1	101.1650	0.000	1	100.8408	0.063	5	100.8408	0.063	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:4:3:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]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>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	100.4940	0.000	1	100.4940	0.000	1	100.8408	0.063	5	100.8408	0.063	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:1:	4:4:3:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	100.8435	0.159	2	100.8435	0.025	2	100.8408	0.063	5	100.8408	0.063	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:2:	4:3:3:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	99.8167	0.000	1	99.8167	0.000	1	99.8167	0.000	1	99.8167	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:2:	4:3:4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	99.6526	0.000	1	99.6526	0.000	1	99.6526	0.000	1	99.6526	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){2|C<3>,2|H<1>}	100.3410	0.000	1	100.3410	0.000	1	100.1835	0.050	2	100.1835	0.050	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){2|C<3>,2|H<1>}	100.0260	0.000	1	100.0260	0.000	1	100.1835	0.050	2	100.1835	0.050	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{8|C<3>}	98.6911	0.505	2	98.6911	0.255	2	98.6911	0.255	2	98.6911	0.255	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:3:4:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|C<4>,1|S<4>,6|C<3>}	100.0150	0.000	1	100.0150	0.000	1	100.0150	0.000	1	99.0934	1.699	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:3:4:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|C<4>,1|S<4>,6|C<3>}	98.1719	0.000	1	98.1719	0.000	1	98.1719	0.000	1	99.0934	1.699	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:4:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH){5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|H<1>,8|C<3>}	99.3702	0.000	1	99.3702	0.000	1	99.2105	0.335	4	99.2105	0.335	4	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:3:	4:4:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH){1|O<1>,2|O<2>,7|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|P<4>,8|C<3>}	99.1572	0.697	3	99.1572	0.486	3	99.2105	0.335	4	99.2105	0.335	4	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	99.1325	0.000	1	99.1325	0.000	1	99.2568	0.031	2	99.3537	0.044	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	99.3811	0.000	1	99.3811	0.000	1	99.2568	0.031	2	99.3537	0.044	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{1|H<1>,3|C<3>}	99.5475	0.000	1	99.5475	0.000	1	99.5475	0.000	1	99.3537	0.044	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{4|C<3>}	99.2811	0.000	1	99.2811	0.000	1	98.7925	0.185	3	98.7925	0.185	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{1|H<1>,3|C<3>}	98.4735	0.000	1	98.4735	0.000	1	98.7925	0.185	3	98.7925	0.185	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{4|C<3>}	98.6229	0.000	1	98.6229	0.000	1	98.7925	0.185	3	98.7925	0.185	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:3:4:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	100.3580	0.000	1	100.3580	0.000	1	100.3580	0.000	1	100.3580	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:4:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(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)	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|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>}	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	98.8216	0.000	1	98.8216	0.000	1	98.8216	0.000	1	99.4553	0.803	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:4:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	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)	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|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>}	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	100.0890	0.000	1	100.0890	0.000	1	100.0890	0.000	1	99.4553	0.803	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:2:3:4:	4:4:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O){1|C<4>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{2|H<1>,3|C<3>}	98.8762	0.000	1	98.8762	0.000	1	98.8762	0.000	1	98.8762	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:3:2:1:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{4|C<3>}	100.7127	0.773	4	100.7127	0.598	4	100.7127	0.598	4	100.5451	0.507	12	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:3:2:1:	4:3:3:	4:4:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	O[5,5](C[5,5,6]C[5,6]2H)2{4|C<3>}	100.4612	0.718	8	100.4612	0.516	8	100.4612	0.516	8	100.5451	0.507	12	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:3:2:3:	4:4:3:	4:4:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]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)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	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>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a]){2|C<4>,7|C<3>}	99.5237	0.000	1	99.5237	0.000	1	99.5237	0.000	1	99.5237	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:4:2:1:	4:3:3:	4:4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	101.6640	0.000	1	101.6640	0.000	1	101.6640	0.000	1	101.6640	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	3:4:2:1:	4:4:3:	4:4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H){1|C<4>,4|C<3>,4|H<1>}	100.4530	0.000	1	100.4530	0.000	1	100.4530	0.000	1	100.4530	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){4|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>}	100.9955	0.243	2	100.9955	0.059	2	100.9955	0.059	2	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	101.1444	0.366	10	101.1444	0.134	10	101.1444	0.134	10	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){4|C<4>}	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5,6]H){1|O<2>,4|C<4>,4|H<1>}	100.9450	0.000	1	100.9450	0.000	1	100.9450	0.000	1	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	101.8270	0.000	1	101.9845	0.050	2	101.9395	0.024	4	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	102.1420	0.000	1	101.9845	0.050	2	101.9395	0.024	4	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.8110	0.000	1	101.8945	0.014	2	101.9395	0.024	4	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.9780	0.000	1	101.8945	0.014	2	101.9395	0.024	4	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	100.6165	0.163	8	100.6065	0.024	12	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	100.5865	0.163	4	100.6065	0.024	12	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<3>,2|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	100.8555	0.134	2	100.8555	0.018	2	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,3|C<4>,5|H<1>}	100.9420	0.000	1	100.9420	0.000	1	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	101.0743	0.274	4	101.3672	0.353	10	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,2|C<4>,6|H<1>}	101.3510	0.000	1	101.3672	0.353	10	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	101.1085	0.037	2	101.3672	0.353	10	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|O<2>,2|C<4>,6|H<1>}	101.9357	0.866	3	101.3672	0.353	10	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	101.2390	0.000	1	101.2390	0.000	1	100.9555	0.269	26	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	101.4305	0.726	8	101.4305	0.527	8	101.4218	0.296	14	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<4>,4|H<1>}	101.4102	0.178	6	101.4102	0.032	6	101.4218	0.296	14	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	102.1110	0.000	1	102.1110	0.000	1	102.1110	0.000	1	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	101.5605	0.988	2	101.6400	0.507	3	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	101.7990	0.000	1	101.6400	0.507	3	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	102.5995	0.108	2	102.5995	0.012	2	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H){1|C<4>,2|H<1>,3|C<3>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{3|C<3>,3|H<1>}	101.9890	0.000	1	101.9890	0.000	1	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	102.2563	0.401	9	102.2284	0.150	10	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	101.9770	0.000	1	102.2284	0.150	10	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,5,6]C[5,5,6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	102.1130	0.000	1	102.1130	0.000	1	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O){2|C<3>,4|H<1>}	102.7720	0.000	1	102.7720	0.000	1	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	101.9140	0.000	1	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	102.0050	0.312	37	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	102.0230	0.000	1	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	102.5382	0.198	4	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.4560	0.078	2	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	102.2750	0.000	1	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	101.8230	0.000	1	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.6195	0.173	2	102.0107	0.121	49	102.0567	0.155	67	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	102.1690	0.000	1	102.1690	0.000	1	102.1690	0.000	1	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.9060	0.000	1	101.9155	0.000	2	101.9155	0.000	2	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.9250	0.000	1	101.9155	0.000	2	101.9155	0.000	2	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	102.0680	0.904	2	102.0680	0.817	2	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	101.6350	0.000	1	101.6350	0.000	1	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	101.3930	0.581	2	101.5369	0.220	14	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,2|C<3>,6|H<1>}	101.4480	0.534	8	101.5369	0.220	14	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,3|C<3>,5|H<1>}	101.7867	0.236	4	101.5369	0.220	14	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	101.2690	0.000	1	101.3965	0.033	2	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	101.5240	0.000	1	101.3965	0.033	2	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|N<3>,6|H<1>}	100.8105	0.240	2	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|S<2>,6|H<1>}	101.9650	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|S<4>,6|H<1>}	101.9970	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	101.3910	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	100.9290	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	101.4290	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|S<2>,6|H<1>}	101.8350	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|S<4>,6|H<1>}	101.6430	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,1|P<4>,6|H<1>}	102.8325	0.692	2	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|S<2>,2|C<4>,6|H<1>}	101.4270	0.000	1	101.6585	0.516	12	101.6124	0.333	31	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,6|H<1>}	101.6440	0.000	1	101.5343	0.037	6	101.5343	0.037	6	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,6|H<1>}	101.6135	0.200	2	101.5343	0.037	6	101.5343	0.037	6	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	101.5150	0.000	1	101.5343	0.037	6	101.5343	0.037	6	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	101.6230	0.000	1	101.5343	0.037	6	101.5343	0.037	6	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<4>,1|S<4>,7|H<1>}	101.1970	0.000	1	101.5343	0.037	6	101.5343	0.037	6	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|F<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<4>,1|O<2>,2|F<1>,2|H<1>}	102.5650	0.000	1	102.5650	0.000	1	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,1|C<4>,4|H<1>}	102.0180	0.196	3	102.0180	0.038	3	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]Br)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]Br)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,2|C<4>,3|H<1>}	103.2650	0.231	2	103.2650	0.053	2	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,2|H<1>,3|C<3>}	102.7530	0.000	1	102.7530	0.000	1	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<4>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<4>,4|H<1>}	102.4690	0.000	1	102.4690	0.000	1	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,3|H<1>}	101.6370	0.000	1	101.7670	0.029	6	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	101.7495	0.171	4	101.7670	0.029	6	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,5|H<1>}	101.9670	0.000	1	101.7670	0.029	6	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	102.0960	0.000	1	102.0960	0.000	1	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|F<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|O<2>,2|F<1>,2|H<1>}	102.4783	1.434	3	102.5605	1.399	4	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<2>,1|O<1>,4|H<1>}	102.8070	0.000	1	102.5605	1.399	4	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|O<2>,2|F<1>,2|H<1>}	102.8597	0.735	3	102.8597	0.540	3	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,2|C<3>,3|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	101.6070	0.000	1	101.6070	0.000	1	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,1|C<4>,4|H<1>}	101.7573	0.611	3	101.7792	0.331	5	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<2>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<2>,1|O<1>,4|H<1>}	102.3480	0.000	1	101.7792	0.331	5	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,5|H<1>}	101.2760	0.000	1	101.7792	0.331	5	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]P)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,2|P<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]P)(H){1|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|P<4>,4|H<1>}	101.8743	0.325	3	101.8743	0.106	3	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|N<3>,3|H<1>}	101.9540	0.000	1	101.9540	0.000	1	102.1866	0.469	32	101.7358	0.428	197	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:2:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{2|C<4>,2|H<1>,2|O<2>}	100.9810	0.238	2	100.9810	0.056	2	100.9810	0.056	2	100.9810	0.056	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:3:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	100.8080	0.000	1	100.8080	0.000	1	101.0507	0.073	3	100.7592	0.207	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:3:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	101.1720	0.242	2	101.1720	0.058	2	101.0507	0.073	3	100.7592	0.207	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	100.4670	0.000	1	100.4670	0.000	1	100.3220	0.042	2	100.7592	0.207	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	100.1770	0.000	1	100.1770	0.000	1	100.3220	0.042	2	100.7592	0.207	5	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:4:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	100.0380	0.103	3	100.1955	0.106	4	100.1955	0.106	4	101.7462	1.565	11	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:4:	4:4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,4|C<4>,4|H<1>}	100.6680	0.000	1	100.1955	0.106	4	100.1955	0.106	4	101.7462	1.565	11	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3){4|C<4>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|H<1>,2|C<3>,3|C<4>}	102.4310	0.042	2	102.4310	0.002	2	102.6325	0.061	4	101.7462	1.565	11	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC){1|C<4>,1|H<1>,2|C<3>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,2|H<1>,3|C<3>}	102.7340	0.000	1	102.7340	0.000	1	102.6325	0.061	4	101.7462	1.565	11	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3){1|C<4>,1|H<1>,2|F<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	102.9340	0.000	1	102.9340	0.000	1	102.6325	0.061	4	101.7462	1.565	11	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:3:4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(PC[6a]2Pt)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(PC[6a]2Pt){1|C<4>,1|P<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{2|P<4>,4|H<1>}	102.6320	0.119	3	102.6320	0.014	3	102.6320	0.014	3	101.7462	1.565	11	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:4:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H)	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)	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H){2|C<3>,5|C<4>}	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>}	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	101.5870	0.000	1	101.5870	0.000	1	101.5870	0.000	1	101.2957	0.089	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:4:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]CC)(O)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]CC)(O){1|C<4>,1|O<2>,2|C<3>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,6]C){1|O<1>,2|C<3>,2|C<4>}	101.3090	0.000	1	101.3090	0.000	1	101.3090	0.000	1	101.2957	0.089	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:1:	4:4:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(O)	O[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(O){4|C<4>}	O[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5,6]C[5,6]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	100.9910	0.000	1	100.9910	0.000	1	100.9910	0.000	1	101.2957	0.089	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:2:	4:3:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H){1|C<3>,3|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	100.3105	0.088	2	100.3105	0.008	2	100.3105	0.008	2	100.8453	0.862	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:2:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O){2|C<3>,4|H<1>}	101.9150	0.000	1	101.9150	0.000	1	101.9150	0.000	1	100.8453	0.862	3	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	3:4:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	N[5,3x6]-3:C[5,5,6]-4:O-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO)	C[5,6](N[5,3x6]C[5,5,3x6]C[6,6])(C[5,5,6]C[5,6]O[5,5]C)(O)	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,3x6]C[5,5,3x6]C[6,6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	102.2270	0.000	1	102.2270	0.000	1	102.2270	0.000	1	100.7307	4.478	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	3:4:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	N[5,5,6]-3:C[5,5,6]-4:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO)	C[5,6](N[5,5,6]C[3x5,6,6]C[5,6a])(C[5,5,6]C[5,6]O[5,5]C)(O)	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5,6](N[5,5,6]C[3x5,6,6]C[5,6a])(C[5,5,6]C[5,6]O[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	99.2344	0.000	1	99.2344	0.000	1	99.2344	0.000	1	100.7307	4.478	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:2:4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	C[5,5,6]-4:N[5,6]-2:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH)	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6])	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	98.7150	0.000	1	98.7150	0.000	1	98.7150	0.000	1	98.7150	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	102.2790	0.000	1	102.2790	0.000	1	102.2790	0.000	1	102.3457	1.756	7	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:N[5,6,6]-3:O-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6,6]C[5,5,3x6]C[6])(O)	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO){1|S<4>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6,6]C[5,5,3x6]C[6])(O){1|N<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	100.3020	0.000	1	100.3020	0.000	1	100.3020	0.000	1	102.3457	1.756	7	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	101.9173	0.137	3	101.9173	0.019	3	101.9173	0.019	3	102.3457	1.756	7	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N){2|C<3>,4|H<1>}	104.0435	0.047	2	104.0435	0.002	2	104.0435	0.002	2	102.3457	1.756	7	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:3:3:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	101.9690	0.000	1	101.9690	0.000	1	101.9690	0.000	1	101.9690	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:3:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	100.8610	0.363	2	100.8610	0.132	2	100.8610	0.132	2	100.8610	0.132	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:3:	4:4:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(O)	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	102.1530	0.000	1	102.1530	0.000	1	102.1530	0.000	1	102.1530	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:2:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O)	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	99.1495	0.000	1	99.1495	0.000	1	98.9725	0.063	2	98.9725	0.063	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:2:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O)	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	98.7956	0.000	1	98.7956	0.000	1	98.9725	0.063	2	98.9725	0.063	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:2:3:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6])(CHH)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6])(CHH){1|H<1>,1|N<3>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C){1|N<3>,2|C<3>,2|H<1>}	100.2451	0.260	4	100.2451	0.067	4	100.2451	0.067	4	100.2451	0.067	4	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>}	100.5160	0.346	2	100.5160	0.120	2	100.3255	0.148	6	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,3|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	100.4715	0.527	2	100.2302	0.170	4	100.3255	0.148	6	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){4|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	99.9890	0.033	2	100.2302	0.170	4	100.3255	0.148	6	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	101.7900	0.276	3	101.7900	0.076	3	101.3060	0.419	14	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	100.1793	0.821	2	100.1793	0.674	2	101.3060	0.419	14	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2{2|C<3>,4|H<1>}	101.4605	0.240	2	101.4605	0.057	2	101.3060	0.419	14	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	101.7200	0.201	4	101.7200	0.040	4	101.3060	0.419	14	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N){2|C<3>,4|H<1>}	100.9485	0.104	2	100.9485	0.011	2	101.3060	0.419	14	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|O<2>,2|F<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<4>,1|O<2>,2|F<1>,2|H<1>}	100.8570	0.000	1	100.8570	0.000	1	101.3060	0.419	14	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	100.7980	0.000	1	100.7980	0.000	1	100.4818	0.286	7	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	99.9157	0.139	2	99.9157	0.019	2	100.4818	0.286	7	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	100.3365	0.421	2	100.3365	0.177	2	100.4818	0.286	7	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|C<4>,1|N<3>,7|H<1>}	101.0350	0.356	2	101.0350	0.127	2	100.4818	0.286	7	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<4>,4|H<1>}	101.5140	0.000	1	101.5140	0.000	1	101.5140	0.000	1	100.8973	0.511	28	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:3:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|H<1>,2|C<3>,3|C<4>}	101.0990	0.191	2	101.0990	0.036	2	101.0990	0.036	2	101.0990	0.036	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:3:4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	101.8550	0.008	2	101.8550	0.000	2	101.8550	0.000	2	101.8550	0.000	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:4:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(O)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|O<1>,2|O<2>,4|H<1>}	101.4922	1.311	4	101.4922	1.720	4	101.4922	1.720	4	101.4922	1.720	4	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:3:4:	4:4:3:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|O<2>,1|S<4>,2|F<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH){1|H<1>,1|O<2>,2|C<4>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|F<1>}	101.5380	0.000	1	101.5380	0.000	1	101.5380	0.000	1	101.5380	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:Br-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(Br)	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(Br){2|C<4>,2|H<1>}	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,2|C<4>,3|H<1>}	101.3285	0.450	2	101.3285	0.203	2	101.3285	0.203	2	101.3285	0.203	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{3|C<3>,3|H<1>}	101.9660	0.000	1	101.9660	0.000	1	101.9660	0.000	1	101.9660	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:3:2:1:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[4,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]2)(O)	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]2)(O){4|C<4>,5|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	101.4180	0.000	1	101.4180	0.000	1	101.4180	0.000	1	101.3930	0.001	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:3:2:1:	4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]C)(O)	O[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H)	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H){3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	101.3680	0.000	1	101.3680	0.000	1	101.3680	0.000	1	101.3930	0.001	2	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:3:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,5,6]C[5,5,6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	102.4550	0.000	1	102.4550	0.000	1	102.4550	0.000	1	102.4550	0.000	1	101.2092	1.139	371	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	102.4913	0.077	3	102.5507	0.018	4	102.5507	0.018	4	102.5507	0.018	4	102.5507	0.018	4	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	102.7290	0.000	1	102.5507	0.018	4	102.5507	0.018	4	102.5507	0.018	4	102.5507	0.018	4	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC)	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(H){1|O<2>,3|C<3>,4|C<4>}	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5,5]	O[5]	3:3:2:2:	4:4:3:	4:4:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	103.8720	0.000	1	103.8720	0.000	1	103.8720	0.000	1	103.8720	0.000	1	105.1528	1.155	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5,5]	O[5]	3:3:4:2:	4:4:2:	4:4:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	104.0850	0.000	1	104.0850	0.000	1	104.0850	0.000	1	104.0850	0.000	1	105.1528	1.155	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5,5]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(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)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]2H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|C<3>,2|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>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	105.9357	0.028	3	105.9357	0.001	3	105.9357	0.001	3	105.9357	0.001	3	105.1528	1.155	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:2:3:2:	4:4:1:	4:4:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O){1|C<3>,4|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	103.5070	0.000	1	103.5070	0.000	1	103.5070	0.000	1	103.5070	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:2:3:2:	4:4:3:	4:4:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,5]-4:C-3:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	105.6860	0.000	1	105.6860	0.000	1	105.6860	0.000	1	105.6860	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]H)2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5])	C[5,5](C[5]C[5]H)2(O[5]C[5])2{2|Br<1>,4|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	103.9230	0.020	2	103.9230	0.000	2	103.9230	0.000	2	103.9230	0.000	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:2:3:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	104.5260	0.192	2	104.5260	0.037	2	104.5260	0.037	2	104.5260	0.037	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.6240	0.000	1	103.6240	0.000	1	103.6240	0.000	1	104.4535	1.376	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	105.2830	0.000	1	105.2830	0.000	1	105.2830	0.000	1	104.4535	1.376	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	103.6635	0.419	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	O[5](C[5,5]C[5,6a]C[5]N[5])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5]){1|H<1>,1|N<3>,7|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])2{1|Pt<4>,8|C<3>}	103.2060	0.000	1	103.2060	0.000	1	103.2060	0.000	1	103.6635	0.419	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:4:1:	4:4:	N[5]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH)	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	101.8200	0.000	1	101.8200	0.000	1	101.8200	0.000	1	101.8200	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:2:	3:4:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){2|H<1>,5|C<4>}	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){4|C<4>,5|H<1>}	103.4610	0.017	2	103.4610	0.000	2	103.4610	0.000	2	103.4610	0.000	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:4:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[4,5]-4:C[5,5]-4:O-1:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O)	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3){1|O<2>,2|H<1>,2|O<1>,3|C<3>,4|C<4>}	105.5130	0.000	1	105.9340	0.354	2	105.9340	0.354	2	104.1704	2.851	5	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:4:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[4,5]-4:C[5,5]-4:O-1:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O)	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[4,5]C[4,5]C[4,6]C[6a])(C[5,5]C[5]3){1|O<2>,2|H<1>,2|O<1>,3|C<4>,4|C<3>}	106.3550	0.000	1	105.9340	0.354	2	105.9340	0.354	2	104.1704	2.851	5	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:4:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	102.6595	0.087	2	102.9947	0.341	3	102.9947	0.341	3	104.1704	2.851	5	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:2:3:	4:4:1:	4:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	103.6650	0.000	1	102.9947	0.341	3	102.9947	0.341	3	104.1704	2.851	5	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:2:1:	4:4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5])(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	100.6400	0.000	1	100.6400	0.000	1	100.6400	0.000	1	100.6400	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	103.7390	0.071	2	103.7390	0.005	2	103.6887	0.010	3	103.6887	0.010	3	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	103.5880	0.000	1	103.5880	0.000	1	103.6887	0.010	3	103.6887	0.010	3	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	O[5](C[5,5]C[5]3)(C[5]C[5]OO)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){3|C<3>,4|O<2>}	O[5](C[5,5]C[5]3)(C[5]C[5]OO){2|O<2>,5|C<3>}	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	3:4:4:2:	3:4:1:	4:4:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3)	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H){1|C<3>,5|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3){2|C<3>,5|C<4>,6|H<1>}	103.4070	0.000	1	103.4070	0.000	1	103.4070	0.000	1	103.4070	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:2:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O)	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5])	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<4>}	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O){1|H<1>,1|N<3>,4|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5]){1|N<3>,1|O<1>,4|C<4>,5|H<1>}	103.8940	0.000	1	103.8940	0.000	1	103.5560	0.228	2	103.5560	0.228	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:2:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O)	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5])	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){1|H<1>,4|C<4>}	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,6])(O){1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5]){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	103.2180	0.000	1	103.2180	0.000	1	103.5560	0.228	2	103.5560	0.228	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5,5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O){1|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	104.7610	0.000	1	104.7610	0.000	1	104.7610	0.000	1	104.7610	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<3>,2|C<4>,3|H<1>}	104.6860	0.000	1	104.6860	0.000	1	104.6860	0.000	1	104.6860	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:H-1:	C[5]-4:C[5,5]-4:	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[5])(H)	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	101.7150	0.000	1	101.7150	0.000	1	101.7150	0.000	1	101.7150	0.000	1	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:2:3:	4:4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(CCH)	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5]){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(CCH){1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO){1|C<3>,2|H<1>,4|C<4>}	100.6865	0.257	2	100.6865	0.066	2	100.6865	0.066	2	100.6865	0.066	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H)	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H){2|H<1>,3|C<3>,3|C<4>,3|O<2>}	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	102.4058	0.453	6	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	101.7155	0.213	2	101.7155	0.045	2	101.7155	0.045	2	102.4058	0.453	6	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	102.7870	0.000	1	102.9527	0.150	3	102.9527	0.150	3	102.4058	0.453	6	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<4>,3|C<3>,6|H<1>}	102.6760	0.000	1	102.9527	0.150	3	102.9527	0.150	3	102.4058	0.453	6	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){4|C<4>,4|H<1>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){1|C<3>,4|C<4>,6|H<1>}	103.3950	0.000	1	102.9527	0.150	3	102.9527	0.150	3	102.4058	0.453	6	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,5]	C[5]	O[5]	4:4:3:2:	4:4:1:	4:4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(O){3|H<1>,5|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,4|C<4>,4|H<1>}	103.3600	0.898	2	103.3600	0.806	2	103.3600	0.806	2	103.3600	0.806	2	103.4306	1.863	40	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[5]	3:4:3:2:	4:4:3:	4:4:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:	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[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)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH)	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[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>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH){2|C<3>,3|C<4>,3|H<1>}	103.4390	0.000	1	103.4390	0.000	1	103.4390	0.000	1	103.4390	0.000	1	103.4390	0.000	1	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[5,6]	3:2:4:3:	4:3:4:	4:4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6]-4:C[5,6]-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[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	102.2930	0.000	1	102.2930	0.000	1	102.2930	0.000	1	102.2930	0.000	1	101.4207	4.362	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[5,6]	3:3:2:4:	4:3:4:	4:4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6]-4:C[5,6]-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[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	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[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>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	103.0550	0.000	1	103.0550	0.000	1	103.0550	0.000	1	102.4420	0.752	2	101.4207	4.362	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[5,6]	3:3:2:4:	4:3:4:	4:4:	C[5a,6]-3:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6]-4:C[5,6]-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[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)	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H){2|C<3>,3|C<4>,4|H<1>}	101.8290	0.000	1	101.8290	0.000	1	101.8290	0.000	1	102.4420	0.752	2	101.4207	4.362	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[5,6]	4:3:2:1:	4:4:1:	4:4:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[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)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	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[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>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){1|O<1>,3|C<4>,4|H<1>}	97.7724	0.000	1	97.7724	0.000	1	97.7724	0.000	1	97.7724	0.000	1	101.4207	4.362	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[5,6]	4:3:2:4:	4:3:4:	4:4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6]-4:C[5,6]-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[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)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	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[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>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	102.1540	0.000	1	102.1540	0.000	1	102.1540	0.000	1	102.1540	0.000	1	101.4207	4.362	5	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[5]	4:3:2:2:	4:3:2:	4:4:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[5]-4:	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[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5])	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH)	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[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>}	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	102.0920	0.000	1	102.0920	0.000	1	102.0920	0.000	1	102.0920	0.000	1	102.0920	0.000	1	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	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[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,6|H<1>}	101.7855	0.862	2	101.7855	0.743	2	101.7855	0.743	2	101.7855	0.743	2	102.3470	1.317	3	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6,6]	C[5]	O[5,6]	4:2:4:3:	4:3:4:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5,6]-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[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)	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[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>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	103.4700	0.000	1	103.4700	0.000	1	103.4700	0.000	1	103.4700	0.000	1	102.3470	1.317	3	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O[5]	3:4:2:1:	3:4:4:	4:4:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	O[5](C[5,6]C[5,6,6]C[5,6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,6,6]C[5,6]H)2{2|C<3>,2|H<1>,4|C<4>}	103.7960	0.494	2	103.7960	0.244	2	103.7960	0.244	2	103.7960	0.244	2	103.8688	0.128	4	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(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)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,2|H<1>,3|C<4>}	103.9415	0.344	2	103.9415	0.119	2	103.9415	0.119	2	103.9415	0.119	2	103.8688	0.128	4	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:3:2:1:	4:3:4:	4:4:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH){4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	104.0145	0.039	2	104.0145	0.002	2	104.0145	0.002	2	104.0145	0.002	2	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:3:2:4:	4:3:2:	4:4:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5])	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5]){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO){1|H<1>,2|C<3>}	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	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[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS){1|C<3>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<3>}	104.0550	0.000	1	104.0550	0.000	1	104.0550	0.000	1	104.0550	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:3:4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4: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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	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[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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:2:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(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])	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO)	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[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>}	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|H<1>,3|C<4>}	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[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)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){4|C<4>,5|H<1>}	104.1370	0.045	2	104.1370	0.002	2	104.1370	0.002	2	104.4818	0.594	4	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	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[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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<3>,3|H<1>}	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	104.4818	0.594	4	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,5|H<1>}	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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>}	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	104.4818	0.594	4	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:3:2:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5])	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:2:	4:4:3:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO)	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[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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	104.9050	0.240	2	104.9050	0.058	2	104.9050	0.058	2	104.9050	0.058	2	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:3:	4:3:4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,5]-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[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]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){1|O<1>,5|H<1>,6|C<4>}	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>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3){2|C<3>,5|C<4>,6|H<1>}	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:4:	4:3:2:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)	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[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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|H<1>}	99.3505	0.000	1	99.3505	0.000	1	99.3505	0.000	1	99.3505	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:4:	4:4:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[4,5,6]-4:C[5,6]-4:O-1:	C[4,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O)	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C)	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[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>}	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C){1|O<1>,3|C<4>,4|H<1>}	102.4640	0.000	1	102.4640	0.000	1	102.4640	0.000	1	102.7175	0.129	2	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	3:4:2:4:	4:4:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	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[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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	102.7175	0.129	2	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]C)(O[5]C[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]C)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	103.2600	0.000	1	103.2600	0.000	1	103.2600	0.000	1	103.2600	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H){3|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C){2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	104.2680	0.000	1	104.2680	0.000	1	104.2680	0.000	1	104.2680	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5]	4:3:2:2:	4:4:3:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	103.7981	2.235	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:2:3:4:	4:2:1:	4:4:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(O)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(O){1|H<1>,2|C<3>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C){1|O<1>,2|C<3>}	101.4680	0.000	1	101.4680	0.000	1	101.4680	0.000	1	101.4680	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:3:1:	3:4:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	103.4190	0.000	1	103.4190	0.000	1	103.4190	0.000	1	103.4190	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	103.2760	0.000	1	103.2760	0.000	1	103.6700	0.310	2	103.6700	0.310	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|O<1>,4|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<1>,2|C<3>,2|H<1>}	104.0640	0.000	1	104.0640	0.000	1	103.6700	0.310	2	103.6700	0.310	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:3:1:	4:3:3:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	101.3630	0.000	1	101.3630	0.000	1	101.3630	0.000	1	101.3630	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:3:2:	4:4:3:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|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>,1|H<1>,2|C<4>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,5|H<1>}	102.6115	0.243	2	102.6115	0.059	2	102.6115	0.059	2	102.6115	0.059	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:3:4:	4:3:4:	4:4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	101.1410	0.000	1	101.1410	0.000	1	101.1410	0.000	1	101.1410	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:4:1:	4:4:3:	4:4:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH)	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:4:3:	4:3:4:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|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>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	100.6905	0.240	2	100.6905	0.057	2	100.6905	0.057	2	100.6905	0.057	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:3:4:4:	4:4:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	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[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>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	102.5750	0.000	1	102.5750	0.000	1	102.5750	0.000	1	102.5750	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	3:4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H){2|C<3>,3|C<4>,4|H<1>}	102.5270	0.000	1	102.5270	0.000	1	102.5270	0.000	1	102.5270	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	101.9440	0.000	1	101.9440	0.000	1	101.9440	0.000	1	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	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>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	102.8140	0.378	4	102.8140	0.143	4	102.8140	0.143	4	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,6|H<1>}	103.0180	0.191	2	103.0180	0.036	2	103.0180	0.036	2	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	102.9830	0.000	1	102.9830	0.000	1	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.8450	0.000	1	102.7320	0.026	2	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.6190	0.000	1	102.7320	0.026	2	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	102.7630	0.000	1	102.7630	0.000	1	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	102.2380	0.000	1	102.2380	0.000	1	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	102.3540	0.000	1	102.3540	0.000	1	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|H<1>}	101.5910	0.000	1	101.5910	0.000	1	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	103.3150	0.006	2	103.1210	0.113	3	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	102.7330	0.000	1	103.1210	0.113	3	102.6756	0.270	10	102.7054	0.233	17	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:3:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	102.4400	0.000	1	102.4400	0.000	1	102.4400	0.000	1	101.3813	0.868	3	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:3:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[5]-3:N[5]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	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>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O){1|N<3>,2|C<4>,4|H<1>}	100.8520	0.235	2	100.8520	0.055	2	100.8520	0.055	2	101.3813	0.868	3	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:1:	4:3:4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	103.2780	0.000	1	103.2780	0.000	1	103.2780	0.000	1	103.2780	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:2:	4:3:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	100.1216	0.996	2	100.1216	0.992	2	100.1216	0.992	2	100.1216	0.992	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:2:	4:4:3:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	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[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>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,6|H<1>}	103.5810	0.018	2	103.5810	0.000	2	103.5810	0.000	2	103.5810	0.000	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:4:	4:2:1:	6:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:O[5]-2:O-1:	Ga[5,5,6,6]-6:C[5,6]-4:	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O)	O[5,6](Ga[5,5,6,6]O[5,6]O[5]2O[6]2)(C[5,6]C[5]C[6]C)	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[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>}	O[5,6](Ga[5,5,6,6]O[5,6]O[5]2O[6]2)(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:4:	4:3:4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.7510	0.000	1	102.7510	0.000	1	102.7510	0.000	1	102.7510	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	2:4:3:4:	4:4:3:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	O[5,6](C[5,6]C[5]C[6]C)2	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[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>}	O[5,6](C[5,6]C[5]C[6]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	102.9075	0.276	2	102.9075	0.076	2	102.9075	0.076	2	102.9075	0.076	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	3:2:3:1:	4:3:1:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	102.3030	0.000	1	102.3030	0.000	1	102.3030	0.000	1	102.3030	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	3:2:3:4:	4:3:1:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H){1|C<4>,5|C<3>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	101.8625	0.026	2	101.8625	0.001	2	101.8625	0.001	2	101.8625	0.001	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	3:2:3:4:	4:3:3:	4:4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|H<1>}	101.4050	0.000	1	102.1850	1.217	2	102.1850	1.217	2	102.1850	1.217	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	3:2:3:4:	4:3:3:	4:4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<1>,2|C<3>,2|H<1>}	102.9650	0.000	1	102.1850	1.217	2	102.1850	1.217	2	102.1850	1.217	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H)	O[5,6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	O[5,6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	102.8060	0.000	1	102.8060	0.000	1	102.8060	0.000	1	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H){1|C<3>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	102.2650	0.000	1	102.2650	0.000	1	102.2650	0.000	1	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|H<1>,4|C<4>}	102.0723	0.333	3	101.9565	0.128	4	101.9921	0.526	8	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|H<1>,4|C<4>}	101.6090	0.000	1	101.9565	0.128	4	101.9921	0.526	8	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	101.5935	0.104	2	101.5935	0.011	2	101.9921	0.526	8	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Se<2>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H){1|C<3>,2|C<4>,4|H<1>}	101.3390	0.000	1	101.3390	0.000	1	101.9921	0.526	8	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,5|H<1>}	103.5850	0.000	1	103.5850	0.000	1	101.9921	0.526	8	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[6,6]C[5]H)2	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[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>}	O[5,6](C[5,6]C[6,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	101.8320	0.112	2	101.8320	0.012	2	101.8320	0.012	2	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]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[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,5|H<1>}	103.2260	0.000	1	103.2260	0.000	1	102.9802	0.074	4	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	103.1570	0.000	1	103.1570	0.000	1	102.9802	0.074	4	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.6260	0.000	1	102.6260	0.000	1	102.9802	0.074	4	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[5]C[6]H)2	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[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>}	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	102.9120	0.000	1	102.9120	0.000	1	102.9802	0.074	4	102.2871	0.481	16	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,3|H<1>}	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:2:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:Se-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a])	C[5](C[5,6]C[5,6]O[5,6]Se)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]Se)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H){1|C<3>,2|C<4>,4|H<1>}	102.0820	0.000	1	102.0820	0.000	1	102.0820	0.000	1	101.6695	0.340	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:2:	4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H)	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]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[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H){1|H<1>,4|C<4>}	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,3|H<1>}	101.2570	0.000	1	101.2570	0.000	1	101.2570	0.000	1	101.6695	0.340	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:3:	4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	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[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	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[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>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	101.7750	0.000	1	101.7750	0.000	1	101.7750	0.000	1	101.7750	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:3:	4:3:4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	104.2340	0.000	1	104.2340	0.000	1	104.2340	0.000	1	104.2340	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:3:	4:4:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:C[5]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO)	C[5](C[5,6]C[5,6,6]O[5,6]C)(C[5]C[5,5,6]HH)(O)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]C)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]O[5,6]C)(C[5]C[5,5,6]HH)(O){1|O<2>,4|C<4>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]C){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	102.2570	0.000	1	102.2570	0.000	1	102.2570	0.000	1	102.2570	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:4:	4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H)	O[5,6](C[5,6]C[6,6]C[5]C)2	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[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>}	O[5,6](C[5,6]C[6,6]C[5]C)2{1|C<3>,2|C<4>,4|H<1>}	101.4470	0.085	2	101.4470	0.007	2	101.4470	0.007	2	101.4470	0.007	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:4:	4:3:4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	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[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>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.4250	0.000	1	102.4250	0.000	1	102.4250	0.000	1	102.4250	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:2:3:4:	4:4:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O){1|C<3>,1|H<1>,4|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	101.6710	0.000	1	101.6710	0.000	1	101.6710	0.000	1	101.6710	0.000	1	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5,6]	4:3:2:3:	4:3:3:	4:4:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	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[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	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[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>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	102.4860	0.519	2	102.4860	0.269	2	102.4860	0.269	2	102.4860	0.269	2	102.4169	1.468	75	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:2:2:2:	4:3:1:	4:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H)	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.9280	0.000	1	104.9280	0.000	1	104.9280	0.000	1	104.9280	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-3:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I)	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I){2|C<4>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){1|Cl<1>,1|I<1>,3|C<3>}	104.0110	0.000	1	104.0110	0.000	1	104.3690	0.256	2	104.3690	0.256	2	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-3:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I)	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I){2|C<4>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){2|I<1>,3|C<3>}	104.7270	0.000	1	104.7270	0.000	1	104.3690	0.256	2	104.3690	0.256	2	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.8150	0.406	5	103.8150	0.165	5	103.7776	0.129	7	103.7776	0.129	7	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	103.6840	0.304	2	103.6840	0.092	2	103.7776	0.129	7	103.7776	0.129	7	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:	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[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN)	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[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>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	102.7100	0.000	1	102.7100	0.000	1	102.7100	0.000	1	102.7100	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:P[5]-4:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	O[5](C[5,6]C[5]C[6]2)(P[5]C[5]OO)	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[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>}	O[5](C[5,6]C[5]C[6]2)(P[5]C[5]OO){1|C<3>,3|C<4>,4|H<1>}	105.5280	0.000	1	105.5280	0.000	1	105.5280	0.000	1	105.5280	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:2:3:2:	4:3:1:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){2|C<3>,2|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O){1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.7760	0.000	1	105.7760	0.000	1	105.7760	0.000	1	105.7760	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O){1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	105.6800	0.266	2	105.6800	0.071	2	105.4400	0.208	3	105.4400	0.208	3	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	104.9600	0.000	1	104.9600	0.000	1	105.4400	0.208	3	105.4400	0.208	3	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:3:3:2:	4:3:4:	4:4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-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[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	105.2900	0.000	1	105.2900	0.000	1	105.2900	0.000	1	105.2900	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:	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[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	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[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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	103.6970	0.000	1	103.6970	0.000	1	103.6970	0.000	1	103.6970	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:4:3:2:	4:3:2:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:Se-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a])	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a]){1|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|Se<2>,2|C<3>,2|C<4>,4|H<1>}	103.0860	0.000	1	103.0860	0.000	1	103.0860	0.000	1	103.0860	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5,6]	C[5]	O[5]	4:4:3:2:	4:4:3:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	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[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H){2|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,3|C<4>,5|H<1>}	104.1680	0.000	1	104.1680	0.000	1	104.1680	0.000	1	104.1680	0.000	1	104.3342	0.878	20	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,5]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	O[5](C[5]C[5,5]HH)2{1|C<3>,2|C<4>}	103.4990	0.000	1	103.4990	0.000	1	103.4990	0.000	1	103.4990	0.000	1	102.9888	0.624	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,5]	O[5]	3:2:1:1:	4:4:2:	4:4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]HH)2{1|C<3>,2|O<2>}	105.1310	0.000	1	105.1310	0.000	1	105.1310	0.000	1	105.1310	0.000	1	102.9888	0.624	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,5]	O[5]	3:2:4:1:	3:4:4:	4:4:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	102.9888	0.624	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,5]	O[5]	3:3:2:1:	4:3:2:	4:4:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-3:S[5]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]S[5])(S[5]C[5])	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]S[5])(S[5]C[5]){1|H<1>,1|S<1>,3|C<3>}	O[5](C[5]C[5,5]C[6a]H)2{2|S<2>,4|C<3>}	102.6088	0.109	8	102.6088	0.012	8	102.6088	0.012	8	102.6088	0.012	8	102.9888	0.624	11	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6,6]	O[5]	3:3:3:2:	3:4:4:	4:4:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-3:C[3x6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	O[5](C[5]C[5,6,6]C[6a]2)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	O[5](C[5]C[5,6,6]C[6a]2)2{2|C<4>,8|C<3>}	101.6895	0.159	2	101.6895	0.025	2	101.6895	0.025	2	101.6895	0.025	2	101.6895	0.025	2	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<3>}	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	104.6682	0.214	5	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	105.1165	0.214	2	105.1165	0.046	2	104.6980	0.279	4	104.6682	0.214	5	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O){3|H<1>,4|C<4>}	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,2|C<4>}	104.4930	0.000	1	104.4930	0.000	1	104.6980	0.279	4	104.6682	0.214	5	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<3>}	104.0660	0.000	1	104.0660	0.000	1	104.6980	0.279	4	104.6682	0.214	5	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:3:	6:4:	C[5,6]-3:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	In[5,5,6,6]-6:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H)	O[5](In[5,5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	O[5](In[5,5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH){2|C<4>,6|C<3>}	113.9005	0.506	2	113.9005	0.256	2	113.9005	0.256	2	113.9005	0.256	2	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(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)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{2|H<1>,4|C<4>}	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>}	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	104.9940	0.045	2	104.9940	0.002	2	104.9940	0.002	2	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	105.4250	0.000	1	105.4250	0.000	1	105.0340	0.180	3	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){2|C<4>}	104.5830	0.000	1	104.5830	0.000	1	105.0340	0.180	3	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH){1|C<3>,1|H<1>,3|C<4>}	105.0940	0.000	1	105.0940	0.000	1	105.0340	0.180	3	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]C[5,6]HH)2{2|C<4>}	105.2990	0.000	1	105.2990	0.000	1	105.1480	0.046	2	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	O[5](C[5]C[5,6]HH)2{2|C<4>}	104.9970	0.000	1	104.9970	0.000	1	105.1480	0.046	2	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(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)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{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]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	105.6720	0.000	1	105.6720	0.000	1	105.6720	0.000	1	105.1322	0.110	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{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])(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	O[5](C[5]C[5,6]HH)2{2|C<4>}	104.8650	0.000	1	104.8650	0.000	1	104.5897	0.107	3	104.6147	0.047	6	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|N<3>,4|H<1>,5|C<3>}	O[5](C[5]C[5,6]HH)2{2|C<4>}	104.4520	0.318	2	104.4520	0.101	2	104.5897	0.107	3	104.6147	0.047	6	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	O[5](C[5]C[5,6]HH)2{2|C<4>}	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	104.6147	0.047	6	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:3:4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	O[5](C[5]C[5,6]HH)2{2|C<4>}	104.6325	0.132	2	104.6325	0.017	2	104.6325	0.017	2	104.6147	0.047	6	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,2|C<3>}	104.5060	0.000	1	104.5060	0.000	1	104.5060	0.000	1	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	102.5500	0.505	2	102.5500	0.255	2	103.2000	1.395	3	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|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>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	104.5000	0.000	1	104.5000	0.000	1	103.2000	1.395	3	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH){1|C<3>,3|C<4>,5|H<1>}	104.1180	0.000	1	104.1180	0.000	1	104.1180	0.000	1	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,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>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	105.8310	0.000	1	105.0680	1.164	2	105.4063	0.926	3	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,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>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	104.3050	0.000	1	105.0680	1.164	2	105.4063	0.926	3	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,4|H<1>}	O[5](C[5]C[5,6]HH)2{1|H<1>,2|C<3>}	106.0830	0.000	1	106.0830	0.000	1	105.4063	0.926	3	104.3054	1.717	8	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:2:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<3>}	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:2:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(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)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|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>}	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|C<3>,2|C<4>}	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:3:1:	3:4:4:	4:4:	C[5,6]-3:O[5]-2:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){2|C<4>}	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:4:1:	3:4:3:	4:4:	C[5,6]-3:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5,5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H)	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH)	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>}	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH){2|C<3>,2|C<4>}	105.2502	0.577	4	105.2502	0.333	4	105.2502	0.333	4	105.2502	0.333	4	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:2:4:1:	4:4:3:	4:4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|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>}	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>}	105.3400	0.000	1	105.3400	0.000	1	105.3400	0.000	1	105.3400	0.000	1	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	102.5560	0.000	1	102.5560	0.000	1	102.5560	0.000	1	102.5560	0.000	1	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	103.4245	0.162	2	103.4245	0.026	2	103.4245	0.026	2	103.4245	0.026	2	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:4:2:1:	3:4:4:	4:4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,2|C<4>}	104.8510	0.000	1	104.7365	0.026	2	104.7365	0.026	2	104.7365	0.026	2	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5,6]	O[5]	3:4:2:1:	3:4:4:	4:4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|O<1>,2|H<1>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH){1|C<3>,1|H<1>,3|C<4>}	104.6220	0.000	1	104.7365	0.026	2	104.7365	0.026	2	104.7365	0.026	2	105.0605	4.715	42	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	2:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2{2|C<4>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H){2|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	105.3290	0.022	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	2:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(C[5]O[5]O)(H)2	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(O)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5](O[5]C[5,6,6])(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(O){1|C<3>,1|C<4>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	105.2240	0.000	1	105.2240	0.000	1	105.2240	0.000	1	105.3290	0.022	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	2:4:1:	6:4:	O[5]-2:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:O-1:	Si[3x5]-6:C[5]-4:	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2	C[5](O[5]Si[3x5])(C[5]O[5]HH)(O)	O[5](Si[3x5]O[5]5)(C[5]C[5]HH)	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2{4|O<2>}	C[5](O[5]Si[3x5])(C[5]O[5]HH)(O){4|O<2>}	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	108.9527	0.540	3	108.9527	0.291	3	108.9527	0.291	3	108.9527	0.291	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2	C[5](C[5]C[4,5]C[6a])(C[5]O[5]HH)(H)	O[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[4,5]C[6a])(C[5]O[5]HH)(H){1|C<4>,3|C<3>}	O[5](C[4,5]C[4]2C[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	104.4685	1.084	2	104.4685	1.175	2	104.4685	1.175	2	104.7120	0.427	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]H)(C[5]O[5]HH)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,5]H)(C[5]O[5]HH)(H){2|C<3>}	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	104.7850	0.000	1	104.7850	0.000	1	104.7850	0.000	1	104.7120	0.427	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(H){1|C<3>,1|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	104.5170	0.000	1	104.5170	0.000	1	104.4895	0.002	2	104.7120	0.427	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]H)(C[5]O[5]HH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,6]H)(C[5]O[5]HH)(H){2|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	104.4620	0.000	1	104.4620	0.000	1	104.4895	0.002	2	104.7120	0.427	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2	C[5](N[5]C[5,6]C[5a])(C[5]O[5]HH)(O)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2{3|C<3>}	C[5](N[5]C[5,6]C[5a])(C[5]O[5]HH)(O){1|N<2>,1|N<3>,2|C<3>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	104.7120	0.427	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	4:2:1:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](O[5]C[5,6])(C[5]O[5]H)(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H){2|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,5|H<1>}	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:1:1:	4:2:3:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CC[6a]H)	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2{1|C<4>,1|O<2>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CC[6a]H){1|C<4>,1|O<2>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	103.4890	0.000	1	103.4890	0.000	1	103.4890	0.000	1	103.4890	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:2:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H){2|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:2:2:	3:4:3:	4:4:	O[5]-2:C[5]-3:O-2:O-2:	C[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO)	O[5](C[5,5]C[5]3)(C[5]C[5]OO)	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO){1|C<3>,1|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]OO){2|O<2>,5|C<3>}	104.0420	0.000	1	104.0420	0.000	1	104.0420	0.000	1	104.0420	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:3:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-3:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]O[5]CH)(O)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH)	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H){1|N<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]O[5]CH)(O){1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH){1|O<1>,2|C<3>,4|C<4>}	104.2930	0.000	1	104.2930	0.000	1	104.2930	0.000	1	103.6805	0.750	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:3:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:N-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN)	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H){1|C<3>,1|C<4>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	103.0680	0.000	1	103.0680	0.000	1	103.0680	0.000	1	103.6805	0.750	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:3:1:	4:3:1:	4:4:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){2|C<3>,2|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	2:4:2:	6:4:	O[5]-2:C[5]-3:C-4:H-1:	O[5]-2:C[5]-4:O-2:	In[5,5,6,6]-6:C[5]-4:	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H)	C[5](O[5]In[5,5,6,6])(C[5]O[5]CH)(OC)	O[5](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5]C[5]CH)	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H){2|N<3>,2|O<2>}	C[5](O[5]In[5,5,6,6])(C[5]O[5]CH)(OC){2|N<3>,2|O<2>}	O[5](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5]C[5]CH){1|O<2>,2|C<3>,2|C<4>,2|P<4>}	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H){1|C<4>,1|N<3>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	103.4598	0.129	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.4733	0.436	4	103.4733	0.190	4	103.4733	0.190	4	103.4598	0.129	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	103.2430	0.000	1	103.2430	0.000	1	103.2430	0.000	1	103.4598	0.129	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H){2|O<2>}	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	104.6260	0.037	2	104.6260	0.001	2	104.4654	0.259	7	104.3646	0.303	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H){2|O<2>}	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	105.0015	0.077	2	105.0015	0.006	2	104.4654	0.259	7	104.3646	0.303	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H)	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H){2|O<2>}	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	104.0010	0.368	3	104.0010	0.136	3	104.4654	0.259	7	104.3646	0.303	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(O)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(O){2|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|O<1>,2|C<4>,4|H<1>}	103.6590	0.000	1	103.6590	0.000	1	103.6590	0.000	1	104.3646	0.303	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:1:	4:4:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(O){2|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	105.2610	0.000	1	105.2610	0.000	1	105.2610	0.000	1	105.2610	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:2:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H){1|C<4>,1|O<2>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<3>,2|C<4>,3|H<1>}	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:3:	4:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O){2|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,3|C<4>,5|H<1>}	105.4690	0.000	1	105.4690	0.000	1	105.4690	0.000	1	105.4690	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC)	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H){2|C<4>}	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	102.3400	0.000	1	102.3400	0.000	1	102.3400	0.000	1	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:I-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I)	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I){1|C<3>,1|O<2>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){2|I<1>,3|C<3>}	101.9540	0.000	1	101.9540	0.000	1	101.9540	0.000	1	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|C<4>}	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	103.8420	0.252	2	103.8420	0.063	2	103.6768	0.140	5	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|C<4>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	103.5170	0.000	1	103.7780	0.136	2	103.6768	0.140	5	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){2|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|O<2>,3|C<3>}	104.0390	0.000	1	103.7780	0.136	2	103.6768	0.140	5	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|N<3>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	103.1440	0.000	1	103.1440	0.000	1	103.6768	0.140	5	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	3:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	P[5]-3:C[5]-4:H-1:	Ge[5,6]-4:C[5]-4:	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2	C[5](P[5]Ge[5,6]C)(C[5]O[5]CC)(H)	O[5](Ge[5,6]N[6]O[6]P[5])(C[5]C[5]CC)	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2{1|C<4>,1|N<2>,1|O<2>}	C[5](P[5]Ge[5,6]C)(C[5]O[5]CC)(H){1|N<2>,1|O<2>}	O[5](Ge[5,6]N[6]O[6]P[5])(C[5]C[5]CC){1|H<1>,1|P<4>,2|C<4>}	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	104.6781	17.120	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2	C[5](C[5]O[5]CC)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2{2|O<2>}	C[5](C[5]O[5]CC)(O[5]B[5,5])(O){2|O<2>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	103.6905	0.713	2	103.6905	0.509	2	103.4267	0.463	3	103.9040	1.220	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2	C[5](C[5]O[5]CC)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2{2|O<2>}	C[5](C[5]O[5]CC)(O[5]B[5,5])(O){2|O<2>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	102.8990	0.000	1	102.8990	0.000	1	103.4267	0.463	3	103.9040	1.220	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:P-4:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3)	C[5](C[5]O[5]CP)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CP)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3){2|O<2>}	C[5](C[5]O[5]CP)(O[5]B[5,5])(O){2|O<2>}	O[5](B[5,5]O[5]3)(C[5]C[5]CP){1|C<3>,1|C<4>,1|O<1>}	105.3360	0.000	1	105.3360	0.000	1	105.3360	0.000	1	103.9040	1.220	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	4:2:1:	5:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:O[5]-2:O-1:	P[5,5]-5:C[5]-4:	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2	C[5](C[5]O[5]CC)(O[5]P[5,5])(O)	O[5](P[5,5]O[5]3Ni)(C[5]C[5]CC)	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2{1|Ni<4>,2|O<2>}	C[5](C[5]O[5]CC)(O[5]P[5,5])(O){1|Ni<4>,2|O<2>}	O[5](P[5,5]O[5]3Ni)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	106.0065	0.009	2	106.0065	0.000	2	106.0065	0.000	2	106.0065	0.000	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:3:4:4:	4:4:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	104.1580	0.389	2	104.1580	0.151	2	104.1580	0.151	2	104.1580	0.151	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:4:3:1:	2:4:1:	8:4:	O[5]-2:C[5]-4:C[5]-3:H-1:	O[5]-2:C[5]-4:O-1:	Nb[3,3,5,5]-8:C[5]-4:	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(O)	O[5](Nb[3,3,5,5]O[3]4O[5]3)(C[5]C[5]2H)	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(C[5]O[5]O)(H){1|Nb<8>,1|O<1>,7|O<2>}	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(O){1|C<3>,1|H<1>,7|O<2>}	O[5](Nb[3,3,5,5]O[3]4O[5]3)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	109.7495	0.750	2	109.7495	0.563	2	109.7495	0.563	2	109.7495	0.563	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	2:4:3:4:	3:4:3:	4:4:	O[5]-2:C-4:C[5]-3:C-4:	C[5]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH){1|C<4>,1|O<2>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	102.5770	0.000	1	102.5770	0.000	1	102.5770	0.000	1	102.5770	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[5]-4:H-1:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2{1|C<4>,2|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	104.9676	0.279	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H){2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>}	105.4450	0.000	1	105.4450	0.000	1	105.4450	0.000	1	104.9676	0.279	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	104.9470	0.000	1	104.9470	0.000	1	104.5345	0.340	2	104.9676	0.279	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,3|C<3>}	104.1220	0.000	1	104.1220	0.000	1	104.5345	0.340	2	104.9676	0.279	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[3x5]-4:C[5]-4:	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]HH)(O)	O[5](C[3x5]C[3x5]N[5,5]C[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2{3|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]HH)(O){2|H<1>,3|C<4>}	O[5](C[3x5]C[3x5]N[5,5]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	104.9676	0.279	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:2:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5])	O[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2{2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	105.1880	0.000	1	105.1880	0.000	1	105.1880	0.000	1	104.5557	0.473	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	3:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	N[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>}	104.2395	0.588	2	104.2395	0.345	2	104.2395	0.345	2	104.5557	0.473	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:2:1:	5:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Si[5]-5:C[5]-4:	C[5](C[5]O[5]O)(O[5]Si[5])(H)2	C[5](C[5]O[5]HH)(O[5]Si[5])(O)	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	C[5](C[5]O[5]O)(O[5]Si[5])(H)2{1|F<1>,2|C<4>}	C[5](C[5]O[5]HH)(O[5]Si[5])(O){1|F<1>,2|C<4>}	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	109.1100	0.290	2	109.1100	0.084	2	109.1100	0.084	2	109.1100	0.084	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){2|H<1>}	O[5](C[5]C[5]HH)2{2|H<1>}	107.3307	2.247	4	107.3307	5.048	4	106.7400	5.531	5	106.0617	3.657	9	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]Si)(H)	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(C[5]C[5]Si)(H){1|C<3>,1|C<4>}	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|Si<4>,1|H<1>}	104.3770	0.000	1	104.3770	0.000	1	106.7400	5.531	5	106.0617	3.657	9	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	105.2138	0.808	4	105.2138	0.652	4	105.2138	0.652	4	106.0617	3.657	9	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	O[5](C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H){1|O<1>}	O[5](C[5]C[5]HH)(N[5]C[5]O){1|C<3>,1|C<4>}	105.6230	0.000	1	105.6230	0.000	1	105.6230	0.000	1	105.6230	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{3|C<3>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH){2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>}	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	108.5213	6.445	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:	P[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH)	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<2>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC){1|B<4>,1|C<3>}	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH){1|C<2>,3|C<3>}	110.0040	0.000	1	109.9870	0.001	2	109.9870	0.001	2	108.5213	6.445	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:	P[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH)	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC){1|B<4>,1|C<3>}	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH){1|C<4>,3|C<3>}	109.9700	0.000	1	109.9870	0.001	2	109.9870	0.001	2	108.5213	6.445	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|C<4>}	105.5125	0.240	2	105.5125	0.057	2	105.5125	0.057	2	105.5125	0.057	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]O[5]HH)(O)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]O[5]HH)(O){1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH){1|O<1>,3|C<4>}	106.0080	0.079	2	106.0080	0.006	2	106.0080	0.006	2	107.4973	9.560	12	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(O){1|H<1>,4|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>}	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	107.4973	9.560	12	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	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>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<4>}	105.3300	0.000	1	105.3300	0.000	1	105.7858	0.401	4	107.4973	9.560	12	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	106.4870	0.000	1	105.9377	0.463	3	105.7858	0.401	4	107.4973	9.560	12	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	105.6630	0.687	2	105.9377	0.463	3	105.7858	0.401	4	107.4973	9.560	12	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){2|H<1>}	O[5](C[5]C[5]HH)2{3|H<1>}	109.8066	3.813	5	109.8066	14.542	5	109.8066	14.542	5	107.4973	9.560	12	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:2:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<2>}	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	104.7535	5.259	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:2:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-2:	C[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>}	103.1320	0.000	1	103.1320	0.000	1	103.1320	0.000	1	104.7535	5.259	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	3:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	N[5]-3:C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(CHN)	O[5](N[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(CHN){3|C<3>}	O[5](N[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|O<2>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClC)	O[5](C[4,5]C[4,5]C[6a]N[4])(C[5]C[5]HH)	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClC){1|C<3>,1|N<3>,1|O<1>}	O[5](C[4,5]C[4,5]C[6a]N[4])(C[5]C[5]HH){1|Cl<1>,5|C<3>}	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI)	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI){2|C<3>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	104.5625	0.033	2	104.5625	0.001	2	104.1600	1.213	13	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	103.3960	0.035	2	103.3960	0.001	2	104.1600	1.213	13	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	103.3906	0.451	5	103.3906	0.203	5	104.1600	1.213	13	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	105.5905	1.798	2	105.2320	2.002	3	104.1600	1.213	13	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	104.5150	0.000	1	105.2320	2.002	3	104.1600	1.213	13	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	105.5140	0.000	1	105.5140	0.000	1	104.1600	1.213	13	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[4]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2)	O[5](C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5,6]HH)(C[5]C[5]HH){3|C<3>}	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH)	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH){1|H<1>,4|C<4>}	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.2510	0.000	1	104.2510	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	105.8947	0.757	6	105.8373	0.501	7	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|H<1>}	105.4930	0.000	1	105.8373	0.501	7	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5])	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5]){2|H<1>}	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|H<1>}	106.6700	0.600	2	106.6700	0.360	2	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C){2|H<1>}	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|H<1>}	105.7810	0.000	1	105.7810	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	105.8330	0.000	1	105.8330	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH)	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH){1|C<4>,1|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	105.4420	0.000	2	105.4420	0.000	2	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H){2|H<1>}	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|O<2>}	105.2320	0.000	1	105.2320	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCH)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCH){2|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	105.7770	0.000	1	105.7770	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H){1|H<1>,1|O<2>}	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	106.2277	0.297	3	106.2277	0.088	3	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	O[5](C[5]C[5]HH)2{1|O<2>,2|C<3>}	105.3410	0.000	1	105.3410	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	O[5](C[5]C[5]HH)2{1|O<2>,2|C<3>}	107.2100	0.000	1	107.2100	0.000	1	105.8663	0.535	21	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:1:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2){1|N<3>,2|C<4>,5|H<1>}	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	105.3890	0.000	1	105.3890	0.000	1	105.3890	0.000	1	105.2900	1.383	39	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:1:	3:3:4:	4:3:	C[5]-3:O[5]-2:N-2:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:S[5]-3:	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN)	O[5](C[5]C[5]HN)(S[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5]C[5]HN)(S[5]C[5]O){2|C<3>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H){1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H){2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	105.2090	0.158	2	105.2090	0.025	2	105.2090	0.025	2	105.2090	0.025	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:1:	3:4:2:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	O[5](C[5]C[5]HO)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[5]HO)(C[5]N[5]HO){1|C<3>}	101.9060	0.000	1	101.9060	0.000	1	101.9693	0.102	4	101.9693	0.102	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:1:	3:4:2:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	101.9903	0.387	3	101.9903	0.150	3	101.9693	0.102	4	101.9693	0.102	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(H)	O[5](C[5]C[5]2O)(C[5]C[5]HO)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<2>}	O[5](C[5]C[5]2O)(C[5]C[5]HO){1|C<4>,1|O<2>,3|H<1>}	103.9840	0.000	1	103.9840	0.000	1	103.9840	0.000	1	103.9840	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:2:	3:4:3:	4:4:	C[5]-3:O[5]-2:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	106.5385	0.350	4	106.5385	0.123	4	106.5385	0.123	4	106.5385	0.123	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:2:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CN)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]H)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:2:	4:3:3:	4:4:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	105.4850	0.000	1	105.4850	0.000	1	105.4850	0.000	1	104.8290	0.861	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:2:	4:3:3:	4:4:	C[5]-3:O[5]-2:O-2:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(OC)2	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2{3|C<3>}	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO){2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO){4|C<3>}	104.1730	0.000	1	104.1730	0.000	1	104.1730	0.000	1	104.8290	0.861	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:2:	4:3:4:	4:4:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	107.0020	0.280	2	107.0020	0.078	2	107.0020	0.078	2	107.0020	0.078	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:2:4:	4:2:1:	4:4:	C[5]-3:O[5]-2:S-2:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3)	C[5](C[5]O[5]CS)(O[5]C[5])(O)	O[5](C[5]C[5]CS)(C[5]O[5]CH)	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3){1|C<4>,1|H<1>}	C[5](C[5]O[5]CS)(O[5]C[5])(O){1|C<4>,1|H<1>}	O[5](C[5]C[5]CS)(C[5]O[5]CH){1|O<1>}	102.2040	0.000	1	102.2040	0.000	1	102.2040	0.000	1	102.2040	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:1:	3:4:1:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[6a]O[5]H)(O)	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[6a]O[5]H)(O){2|C<4>,4|C<3>}	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	104.7845	0.414	2	104.7845	0.171	2	104.7845	0.171	2	104.7845	0.171	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:1:	4:2:1:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:B[5,5]-4:	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]H)(O[5]B[5,5])(O)	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3)	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]O[5]H)(O[5]B[5,5])(O){2|C<3>,2|O<2>}	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	104.5526	1.135	22	104.5526	1.289	22	104.5526	1.289	22	104.5526	1.289	22	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:1:	4:3:1:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	103.1600	0.000	1	103.4743	0.109	3	103.4743	0.109	3	103.4743	0.109	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:1:	4:3:1:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	103.6315	0.265	2	103.4743	0.109	3	103.4743	0.109	3	103.4743	0.109	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:1:	4:3:4:	4:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|C<4>}	104.3090	0.078	2	104.3090	0.006	2	104.3090	0.006	2	104.3090	0.006	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:1:	4:4:3:	3:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:	N[5]-3:C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH){1|C<3>}	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,1|H<1>,3|C<3>}	105.4570	0.000	1	105.4570	0.000	1	105.4570	0.000	1	105.4570	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:3:	3:4:3:	4:4:	C[5]-3:O[5]-2:C-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	103.8405	0.252	2	103.8405	0.064	2	103.8405	0.064	2	103.4097	0.589	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:3:	3:4:3:	4:4:	C[5]-3:O[5]-2:C-3:C-3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(COO)2	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CC[6a]2)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[5]N[5]C)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CC[6a]2){1|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){4|C<3>}	102.5480	0.000	1	102.5480	0.000	1	102.5480	0.000	1	103.4097	0.589	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:3:	4:2:1:	4:4:	C[6a]-3:O[5]-2:C[5]-3:C-3:	C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5])(H)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5])(H){1|C<4>,1|N<3>,2|C<3>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,4|C<3>}	100.6710	0.000	1	100.6710	0.000	1	100.6710	0.000	1	100.6710	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:3:4:	4:3:4:	4:4:	C[5]-3:O[5]-2:C-3:C-4:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3)	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3){2|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|Si<4>,1|H<1>}	105.6020	0.000	1	105.6020	0.000	1	105.6020	0.000	1	105.6020	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	3:4:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H){2|C<3>,2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>}	104.4610	0.273	2	104.4610	0.074	2	104.4610	0.074	2	104.4610	0.074	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	3:4:2:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5])	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5]){2|H<1>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>}	102.2540	0.000	1	102.2540	0.000	1	102.2540	0.000	1	102.2540	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>}	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|O<1>}	103.2730	0.000	1	103.2730	0.000	1	103.2730	0.000	1	107.7250	39.641	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-1:	Ga[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]Ga[5])(O)	O[5](Ga[5]O[5]CC)(C[5]C[5]CH)	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]Ga[5])(O){2|C<4>}	O[5](Ga[5]O[5]CC)(C[5]C[5]CH){1|O<1>}	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	107.7250	39.641	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	103.6290	0.000	1	103.6290	0.000	1	103.6290	0.000	1	103.6290	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O-1:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O){1|C<3>,2|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	105.8980	0.000	1	105.8980	0.000	1	105.8980	0.000	1	105.2980	0.728	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|O<1>,2|H<1>,3|C<4>}	105.0040	0.000	1	105.0040	0.000	1	105.0040	0.000	1	105.2980	0.728	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(O){2|C<4>}	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	105.5530	1.293	2	105.5530	1.671	2	105.1960	1.218	3	105.2980	0.728	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|O<1>,2|C<4>}	104.4820	0.000	1	104.4820	0.000	1	105.1960	1.218	3	105.2980	0.728	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:2:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC){1|H<1>,1|N<3>,2|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	103.9080	0.000	1	103.9080	0.000	1	103.9080	0.000	1	103.9080	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	104.1100	0.000	1	104.1100	0.000	1	103.9433	0.266	3	103.9433	0.266	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:1:	4:4:3:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	103.8600	0.700	2	103.8600	0.490	2	103.9433	0.266	3	103.9433	0.266	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:2:	3:4:4:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	104.1085	0.114	2	104.1085	0.013	2	104.1085	0.013	2	104.1085	0.013	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:2:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	C[5](C[5]O[5]CO)(O[5]C[5])(O)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CO)(O[5]C[5])(O){1|C<3>,1|C<4>}	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|O<1>}	100.7590	0.000	1	100.7590	0.000	1	100.7590	0.000	1	100.7590	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:2:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:2:	4:4:3:	4:2:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:O[5]-2:	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<3>,2|C<4>}	102.8020	0.000	1	102.8020	0.000	1	102.8020	0.000	1	102.8020	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	3:4:1:	4:4:	C[5]-3:O[5]-2:C-4:N-3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O)	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	103.8955	0.617	2	103.8955	0.381	2	103.8955	0.381	2	103.8955	0.381	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:2:3:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O[5]-2:N-3:	B[5]-4:C[5]-4:	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	C[5](C[5]O[5]CC)(O[5]B[5])(NCC)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	C[5](C[5]O[5]CC)(O[5]B[5])(NCC){2|F<1>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.6535	0.168	2	102.6535	0.028	2	102.4622	0.071	4	102.4622	0.071	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:2:3:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O[5]-2:N-3:	B[5]-4:C[5]-4:	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	C[5](C[5]O[5]CC)(O[5]B[5])(NCO)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	C[5](C[5]O[5]CC)(O[5]B[5])(NCO){2|F<1>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.2710	0.194	2	102.2710	0.038	2	102.4622	0.071	4	102.4622	0.071	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:3:2:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:N[5]-3:O[5]-2:	B[5]-4:C[5]-4:	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO)	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5])	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	103.3023	1.227	4	103.3023	1.504	4	103.3023	1.504	4	102.9922	0.658	9	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:3:2:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:N[6]-3:O[5]-2:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5])	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.7295	0.130	4	102.7295	0.017	4	102.7442	0.014	5	102.9922	0.658	9	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:3:2:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:N[6]-3:O[5]-2:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5])	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO){2|C<4>,2|F<1>}	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.8030	0.000	1	102.8030	0.000	1	102.7442	0.014	5	102.9922	0.658	9	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:3:3:	4:4:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si)	O[5](C[5]C[5]CC)(C[5]C[5]CN)	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si){2|C<4>}	O[5](C[5]C[5]CC)(C[5]C[5]CN){2|C<3>}	103.7570	0.000	1	103.7570	0.000	1	103.7570	0.000	1	103.7570	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	105.7720	0.000	1	105.0190	1.134	2	105.0190	1.134	2	105.0023	0.568	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	104.2660	0.000	1	105.0190	1.134	2	105.0190	1.134	2	105.0023	0.568	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	104.9690	0.000	1	104.9690	0.000	1	104.9690	0.000	1	105.0023	0.568	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	3:3:4:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	O[5](P[5]C[6a]C[5]S)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	O[5](P[5]C[6a]C[5]S)(C[5]C[5]CC){4|C<3>}	105.4405	0.148	2	105.4405	0.022	2	105.4405	0.022	2	105.4405	0.022	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[4,5]-3:C[5]-4:H-1:	I[4,5]-3:C[5]-4:	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2	C[5](C[4,5]I[4,5]C[4])(C[5]O[5]CC)(H)	O[5](I[4,5]C[4,5]O[4])(C[5]C[5]CC)	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2{1|C<4>,1|O<2>}	C[5](C[4,5]I[4,5]C[4])(C[5]O[5]CC)(H){1|O<2>,2|C<4>}	O[5](I[4,5]C[4,5]O[4])(C[5]C[5]CC){1|C<4>,1|H<1>}	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	3:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-4:Cl-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl)	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl){1|C<3>,1|O<2>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){1|Cl<1>,1|I<1>,3|C<3>}	101.7030	0.000	1	101.7030	0.000	1	101.7030	0.000	1	101.7030	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:2:2:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:N-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(O[5]C[5])(NO)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(NO){1|C<3>,1|C<4>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){1|N<2>,2|C<3>}	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:2:3:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-4:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){3|C<3>}	101.5340	0.000	1	101.5340	0.000	1	101.5340	0.000	1	101.5340	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(N[5]C[5]O)(O)	O[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]O[5]CC)(N[5]C[5]O)(O){1|C<3>,1|H<1>}	O[5](C[5]C[5]CC)(C[5]N[5]CH){1|O<1>,1|O<2>}	104.1390	0.000	1	104.1390	0.000	1	104.1390	0.000	1	104.1390	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:3:2:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:S-2:	C[5]-4:S[5]-4:	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a])	O[5](C[5]C[5]CC)(S[5]C[5]OO)	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a]){2|O<1>}	O[5](C[5]C[5]CC)(S[5]C[5]OO){1|C<3>,1|S<2>}	104.1070	0.000	1	104.1070	0.000	1	104.1070	0.000	1	104.1070	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H)	O[5](C[5]C[5]CC)(C[5]C[5]CN)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H){1|C<4>,1|N<3>}	O[5](C[5]C[5]CC)(C[5]C[5]CN){2|C<3>}	102.8100	0.000	1	102.8100	0.000	1	102.8100	0.000	1	102.8972	0.188	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC)	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC){2|C<4>}	O[5](C[5]C[5]CC)2{2|N<3>}	103.3435	0.144	2	103.3435	0.021	2	102.9190	0.248	4	102.8972	0.188	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:3:3:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO)	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO){2|C<4>}	O[5](C[5]C[5]CC)2{2|N<3>}	102.4945	0.045	2	102.4945	0.002	2	102.9190	0.248	4	102.8972	0.188	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>}	103.2330	0.000	1	103.2330	0.000	1	103.6217	0.284	6	103.6217	0.284	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	103.5190	0.000	1	103.5190	0.000	1	103.6217	0.284	6	103.6217	0.284	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	104.3230	0.000	1	104.3230	0.000	1	103.6217	0.284	6	103.6217	0.284	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,1|O<1>,1|S<4>}	104.2580	0.000	1	104.2580	0.000	1	103.6217	0.284	6	103.6217	0.284	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	103.1985	0.042	2	103.1985	0.002	2	103.6217	0.284	6	103.6217	0.284	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:3:	4:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:O[5]-2:	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:2:4:4:	4:4:3:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,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>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	104.5620	0.000	1	104.5620	0.000	1	104.5620	0.000	1	104.5620	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:2:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CNS)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CNS){2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){3|C<3>}	101.1010	0.000	1	101.1010	0.000	1	101.1010	0.000	1	101.1010	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){6|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	102.8175	0.364	2	102.8175	0.133	2	103.2730	0.172	8	103.5351	0.452	10	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H){2|C<2>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	103.7690	0.000	1	103.7690	0.000	1	103.2730	0.172	8	103.5351	0.452	10	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|C<2>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	103.4142	0.320	4	103.4142	0.102	4	103.2730	0.172	8	103.5351	0.452	10	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	103.1230	0.000	1	103.1230	0.000	1	103.2730	0.172	8	103.5351	0.452	10	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]C[5])(O)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]C[5])(O){2|C<4>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC){1|O<1>,3|C<3>}	104.3400	0.000	1	104.3400	0.000	1	104.3400	0.000	1	103.5351	0.452	10	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:1:	4:4:	N[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]H)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	103.5351	0.452	10	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:2:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:Se-2:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]Se)(SeC[6a])	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]Se)(SeC[6a]){2|C<3>,2|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|Se<2>,2|C<3>,2|C<4>,4|H<1>}	104.3320	0.000	1	104.3320	0.000	1	104.3320	0.000	1	104.3320	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,3|C<3>}	103.9440	0.000	1	103.9440	0.000	1	103.9440	0.000	1	103.4992	0.225	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){1|C<4>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	103.8280	0.000	1	103.6077	0.037	3	103.3880	0.217	4	103.4992	0.225	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){2|C<2>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	103.4975	0.021	2	103.6077	0.037	3	103.3880	0.217	4	103.4992	0.225	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(COO){2|C<2>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	102.7290	0.000	1	102.7290	0.000	1	103.3880	0.217	4	103.4992	0.225	5	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:4:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(O){2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:4:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O)	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O){3|C<3>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|C<4>,4|C<3>}	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){1|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)2{2|H<1>,5|C<3>}	104.0460	0.000	1	104.0460	0.000	1	104.0460	0.000	1	104.0460	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:2:	4:3:2:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5])	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO){3|C<3>}	101.6700	0.132	2	101.6700	0.017	2	101.6700	0.017	2	101.6700	0.017	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	103.7050	0.109	2	103.7050	0.012	2	103.7050	0.012	2	103.7050	0.012	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:3:	4:2:1:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O)	C[5](C[5]C[6a]2O[5])(O[5]C[5,6])(O)	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(O[5]C[5,6])(O){2|C<4>,4|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	101.2000	0.000	1	101.2000	0.000	1	101.2000	0.000	1	101.2000	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:3:	4:2:1:	4:5:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:Si[5,5]-5:	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O)	C[5](C[5]C[6a]2O[5])(O[5]Si[5,5])(O)	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O)	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O){3|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(O[5]Si[5,5])(O){3|O<2>,4|C<3>}	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O){1|C<4>,1|O<1>,5|C<3>}	105.7520	0.284	6	105.7520	0.081	6	105.7520	0.081	6	105.7520	0.081	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,3|C<3>}	103.5990	0.000	1	103.5990	0.000	1	103.5990	0.000	1	103.4507	0.017	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O){2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>}	103.3490	0.000	1	103.3490	0.000	1	103.3765	0.002	2	103.4507	0.017	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){2|C<3>,2|O<2>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO){4|C<3>}	103.4040	0.000	1	103.4040	0.000	1	103.3765	0.002	2	103.4507	0.017	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:2:4:	4:2:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CCH)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CCH){1|C<4>,3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C){5|C<3>}	102.8685	0.023	2	102.8685	0.001	2	102.8685	0.001	2	102.8685	0.001	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5])	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H)	O[5](C[5]C[6a]2C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H){1|S<4>,4|C<3>}	O[5](C[5]C[6a]2C[5])(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	102.5180	0.000	1	102.5180	0.000	1	102.5180	0.000	1	102.5180	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:Br-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[5](C[5]C[6a]2O[5])(C[5]C[5,5]H)(Br)	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5,5]H)(Br){1|O<2>,5|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	100.6995	0.319	2	100.6995	0.102	2	100.6995	0.102	2	101.8063	2.891	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]Br)(Br)	O[5](C[5]C[6a]2C[5])2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]Br)(Br){6|C<3>}	O[5](C[5]C[6a]2C[5])2{2|Br<1>,8|C<3>}	101.5580	0.000	1	101.5580	0.000	1	101.5580	0.000	1	101.8063	2.891	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:Br-1:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]P[5])(Br)	O[5](C[5]C[6a]2C[5])(P[5]C[5]OO)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]P[5])(Br){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	O[5](C[5]C[6a]2C[5])(P[5]C[5]OO){1|Br<1>,5|C<3>}	104.2680	0.000	1	104.2680	0.000	1	104.2680	0.000	1	101.8063	2.891	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:3:4:2:	4:2:1:	4:4:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|O<1>,2|C<3>}	102.7350	0.458	2	102.7350	0.210	2	102.7350	0.210	2	102.7350	0.210	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:4:2:3:	4:3:1:	4:4:	C[5]-3:C-4:O[5]-2:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	C[5](C[5]O[5]CN)(N[5]C[5]S)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]O[5]CN)(N[5]C[5]S)(O){1|C<3>,1|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN){1|O<1>,1|S<4>,2|C<3>}	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:4:2:3:	4:3:3:	4:4:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	103.8990	0.000	1	103.8990	0.000	1	103.8990	0.000	1	103.8990	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	3:4:2:3:	4:4:1:	4:4:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	104.5833	0.383	3	104.5833	0.147	3	104.5833	0.147	3	104.5833	0.147	3	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:O[5]-2:O-1:	As[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(O)	O[5](As[5,5]O[5]3)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(C[5]O[5]O)(H){1|As<4>,1|O<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(O){1|C<3>,1|H<1>,3|O<2>}	O[5](As[5,5]O[5]3)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.7438	0.225	6	111.7438	0.051	6	111.7438	0.051	6	111.7438	0.051	6	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:2:1:	5:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:O[5]-2:O-1:	Si[5,5]-5:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(O)	O[5](Si[5,5]C[6a]O[5]3)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H){1|Si<5>,1|C<3>,1|O<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(O){1|H<1>,2|C<3>,3|O<2>}	O[5](Si[5,5]C[6a]O[5]3)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	107.6705	0.367	4	107.6705	0.135	4	107.6705	0.135	4	107.6705	0.135	4	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H){2|H<1>,3|C<3>,3|C<4>,3|O<2>}	101.7690	0.000	1	101.7690	0.000	1	101.7690	0.000	1	102.8231	0.612	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<4>,3|C<3>,6|H<1>}	103.4980	0.000	1	103.5110	0.000	2	103.5110	0.000	2	102.8231	0.612	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,6|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,5]C[5]3)(C[5]C[5]2H){1|C<3>,4|C<4>,6|H<1>}	103.5240	0.000	1	103.5110	0.000	2	103.5110	0.000	2	102.8231	0.612	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]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[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>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	103.2510	0.000	1	103.2510	0.000	1	102.4763	0.748	3	102.8231	0.612	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]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[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	102.0890	0.772	2	102.0890	0.596	2	102.4763	0.748	3	102.8231	0.612	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]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[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>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	103.1825	0.329	2	103.1825	0.108	2	103.1825	0.108	2	102.8231	0.612	8	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:2:3:4:	4:3:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H){1|O<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	103.4060	0.000	1	103.4060	0.000	1	103.4060	0.000	1	103.4060	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:S[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5])	O[5](C[5]C[5]2H)(S[5]N[5]OO)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H){1|N<3>,3|O<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	O[5](C[5]C[5]2H)(S[5]N[5]OO){4|C<3>}	104.0865	0.023	2	104.0865	0.001	2	104.0865	0.001	2	104.0865	0.001	2	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.1430	0.000	1	105.1430	0.000	1	105.1430	0.000	1	105.1430	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:1:	4:4:2:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<2>,2|C<4>,2|H<1>,2|O<2>}	103.7150	0.000	1	103.7150	0.000	1	103.7150	0.000	1	103.7150	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	105.5240	0.000	1	105.5240	0.000	1	105.5240	0.000	1	105.5240	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	O[5](C[5]C[5]2O)(C[5]C[5]HO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|C<4>,2|H<1>,2|O<2>}	O[5](C[5]C[5]2O)(C[5]C[5]HO){1|C<4>,1|O<2>,3|H<1>}	104.2780	0.000	1	104.2780	0.000	1	104.2780	0.000	1	104.2780	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O){1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	102.6907	0.767	4	102.6907	0.588	4	102.6907	0.588	4	102.6229	0.535	7	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O){1|H<1>,4|C<4>}	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	102.5323	0.839	3	102.5323	0.703	3	102.5323	0.703	3	102.6229	0.535	7	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O){1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	104.7190	0.000	1	104.7190	0.000	1	104.7190	0.000	1	104.7190	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	5:SP3_SP2_SP3	C[5]	C[5]	O[5]	5:2:3:4:	4:2:1:	4:4:	P[3]-5:O[5]-2:C[5]-3:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:B[5,5]-4:	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O)	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3)	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O){1|H<2>,2|O<1>,3|O<2>}	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3){1|C<3>,1|C<4>,1|H<2>,1|O<2>,3|O<1>}	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	104.7233	5.209	330	102.8323	5.270	1041
474	818	976	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,6]	O[5,6]	4:4:2:3:	4:4:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,3x6]-4:C[5,6]-4:O-1:	C[5,5,3x6]-4:C[5,6,6]-4:	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[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)	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H)	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[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>}	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	O[5,6]	4:4:3:2:	4:3:1:	4:2:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,6]-2:	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[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)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])	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[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>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6]){1|C<3>,2|H<1>,5|C<4>}	104.0670	0.000	1	104.0670	0.000	1	104.0670	0.000	1	104.0670	0.000	1	104.0670	0.000	1	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	3:2:4:2:	4:4:3:	4:4:	C[5,6]-3:O[5,6]-2:C[5]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	O[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,6]C[5]2)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,6]C[5]2){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	3:2:4:4:	4:3:4:	4:4:	C[5,6]-3:O[5,6]-2:C[5]-4:C[5]-4:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH)	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]2)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH){2|H<1>,2|O<2>,6|C<4>}	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]2){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	4:3:2:1:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]H)(H){1|N<3>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C){1|C<3>,4|H<1>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(O){2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	105.0540	0.000	1	105.0540	0.000	1	105.2680	0.092	2	105.2680	0.092	2	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	4:3:2:1:	4:3:1:	4:4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C[6a])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C[6a])(O){2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	105.4820	0.000	1	105.4820	0.000	1	105.2680	0.092	2	105.2680	0.092	2	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	4:3:2:4:	4:3:1:	4:2:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H){1|O<2>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6]){1|C<3>,1|H<1>,3|C<4>}	104.6810	0.000	1	104.6810	0.000	1	104.6810	0.000	1	104.6810	0.000	1	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O[5,6]	4:3:2:4:	4:3:4:	4:3:	C[5,5]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:N[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(N[5,6]C[5,5,6]C)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(N[5,6]C[5,5,6]C){1|C<3>,4|C<4>}	104.5170	0.614	2	104.5170	0.377	2	104.5170	0.377	2	104.5170	0.377	2	106.1781	5.506	8	105.9430	4.695	11
474	818	976	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[5,6]	3:2:2:1:	4:3:2:	4:4:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<2>,4|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	105.9430	4.695	11