474	951	974	0:SP3_SP-NON_SP2	C[5]	H	As[5]	3:2:1:1:	4:	4:4:	C[5]-3:As[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]C[5]N)(As[5]P[5])(H)2	H(C[5]As[5]C[5]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>}	H(C[5]As[5]C[5]H)	As[5](P[5]C[6a]2C[5])(C[5]C[5]HH){1|N<3>,5|C<3>}	108.4410	0.008	2	108.4410	0.000	2	108.4410	0.000	2	108.4410	0.000	2	108.4410	0.000	2	108.4410	0.000	2
474	951	975	0:SP3_SP-NON_SP3	C[5,6,6]	H	Se[6,6]	4:2:2:1:	4:	4:4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H)	H(C[5,6,6]Se[6,6]C[5,6]O[5,6])	Se[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]H)	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]Se[6,6]C[5,6]O[5,6])	Se[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]H){3|C<4>,3|H<1>}	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	111.7615	0.388	2
474	951	975	0:SP3_SP-NON_SP3	C[5,6]	H	Se[6]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	H(C[5,6]C[5,6]Se[6]C[5])	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	H(C[5,6]C[5,6]Se[6]C[5])	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,4|C<3>,4|H<1>}	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	111.7615	0.388	2
474	951	976	0:SP3_SP-NON_SP2	C[3x5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[3,5,5,6]-4:C[4x5]-4:O[5,6]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]O[5,6])	O[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]O)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]O[5,6])	O[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]O){2|H<1>,4|C<4>}	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	108.4820	28.757	4	108.4820	28.757	4	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[3x5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H)	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O)	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O){2|H<1>,4|C<4>}	110.6310	0.000	1	110.6310	0.000	1	106.6590	31.554	2	108.4820	28.757	4	108.4820	28.757	4	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[3x5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H)	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O)	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O){1|C<3>,2|H<1>,3|C<4>}	102.6870	0.000	1	102.6870	0.000	1	106.6590	31.554	2	108.4820	28.757	4	108.4820	28.757	4	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[3x5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[4,3x5]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H)	H(C[3x5,6]C[4,3x5]C[5,5,6]O[5,6])	O[5,6](C[3x5,6]C[4,3x5]C[5,5,6]H)(C[5,6]C[4,5,5,6]O)	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x5,6]C[4,3x5]C[5,5,6]O[5,6])	O[5,6](C[3x5,6]C[4,3x5]C[5,5,6]H)(C[5,6]C[4,5,5,6]O){1|H<1>,5|C<4>}	105.7540	0.000	1	105.7540	0.000	1	105.7540	0.000	1	108.4820	28.757	4	108.4820	28.757	4	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H){1|C<2>,1|N<2>,2|C<3>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N){1|C<2>,2|H<1>,3|C<4>}	113.5970	0.000	1	113.5970	0.000	1	114.4151	0.582	7	114.4151	0.582	7	114.4151	0.582	7	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	115.0940	0.044	2	115.0940	0.002	2	114.4151	0.582	7	114.4151	0.582	7	114.4151	0.582	7	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O){1|N<3>,5|H<1>}	114.6700	0.056	3	114.6700	0.003	3	114.4151	0.582	7	114.4151	0.582	7	114.4151	0.582	7	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	113.1110	0.000	1	113.1110	0.000	1	114.4151	0.582	7	114.4151	0.582	7	114.4151	0.582	7	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H){2|C<3>,3|C<4>,3|H<1>}	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5]-2:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	111.7920	0.150	2	111.9157	0.057	3	112.0882	0.084	5	112.0882	0.084	5	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5]-2:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	112.1630	0.000	1	111.9157	0.057	3	112.0882	0.084	5	112.0882	0.084	5	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5]-2:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<4>}	112.3400	0.000	1	112.3400	0.000	1	112.0882	0.084	5	112.0882	0.084	5	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5]-2:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	112.3540	0.000	1	112.3540	0.000	1	112.0882	0.084	5	112.0882	0.084	5	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[4,5,5,6]O)	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[4,5,5,6]O){3|H<1>,4|C<4>}	111.6510	0.000	1	111.6510	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|Br<1>,2|H<1>,4|C<4>}	104.9120	0.000	1	104.9120	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){3|H<1>,4|C<4>}	111.7540	0.000	1	111.7540	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<2>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|C<2>,1|I<1>,2|H<1>,3|C<4>}	111.7440	0.000	1	111.7440	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|O<2>,3|C<4>,3|H<1>}	111.3140	0.000	1	111.3140	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|Se<2>,3|C<4>,3|H<1>}	112.3620	0.000	1	112.3620	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	110.0060	0.000	1	110.0060	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|I<1>,1|O<2>,2|C<4>,3|H<1>}	112.6810	0.000	1	112.6810	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){2|C<4>,2|O<2>,3|H<1>}	112.3650	0.000	1	112.3650	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O){1|S<2>,2|C<4>,2|H<1>,2|O<2>}	112.0700	0.000	1	112.0700	0.000	1	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]O)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<4>}	109.1982	1.852	6	109.1982	3.431	6	110.3780	5.189	16	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6,6]2O[5])	O[5](C[5,5,6]C[5,5,6,6]2H)(C[5]C[5,6]O)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]2O[5])	O[5](C[5,5,6]C[5,5,6,6]2H)(C[5]C[5,6]O){1|C<3>,2|O<2>,3|C<4>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	111.7800	0.259	2	111.7513	0.036	3	111.4802	0.318	4	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O){3|C<4>,4|H<1>}	111.6940	0.000	1	111.7513	0.036	3	111.4802	0.318	4	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|P<4>}	110.6670	0.000	1	110.6670	0.000	1	111.4802	0.318	4	110.6584	4.209	21	110.9635	3.593	27	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:2:4:1:	4:	3:4:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	107.9680	0.000	1	107.9680	0.000	1	106.2070	11.114	4	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	103.4155	0.218	2	103.4155	0.048	2	106.2070	11.114	4	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-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)	H(C[5,5]C[5,5]C[5]O[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]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.0290	0.000	1	110.0290	0.000	1	106.2070	11.114	4	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[3x5]O[5])	O[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[3x5]O[5])	O[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C[6a]){1|C<4>,6|C<3>}	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,6a]O[5])	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]O[5])	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6]O){1|O<2>,5|C<3>}	112.7900	0.267	2	112.7900	0.071	2	112.7900	0.071	2	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	112.3153	0.253	4	112.3153	0.064	4	112.0017	0.253	14	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	111.8763	0.533	10	111.8763	0.284	10	112.0017	0.253	14	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	112.1200	0.000	1	110.5523	5.298	6	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	111.4167	0.513	3	110.5523	5.298	6	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	108.4720	3.551	2	110.5523	5.298	6	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H){1|C<4>,3|C<3>}	111.7380	0.000	1	111.7380	0.000	1	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H){1|H<1>,1|O<2>,3|C<3>}	111.7000	0.427	2	111.7000	0.182	2	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	111.8700	0.315	2	111.8700	0.099	2	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5]){1|H<1>,1|O<2>,4|C<3>}	112.5070	0.000	1	112.5070	0.000	1	111.2249	2.971	12	111.0874	5.786	33	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]C)(O[5]C[5,6a])(N[5]C[5,6])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]C[5,6]C)(O[5]C[5,6a])(N[5]C[5,6])(H){4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	110.9300	0.000	1	110.9300	0.000	1	111.0750	0.042	2	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H){3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	111.2200	0.000	1	111.2200	0.000	1	111.0750	0.042	2	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H){4|C<3>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){1|H<1>,1|P<4>,4|C<3>}	110.8010	0.013	2	110.8010	0.000	2	110.4815	1.908	11	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	110.4800	0.000	1	110.4104	2.353	9	110.4815	1.908	11	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	110.3220	0.000	1	110.4104	2.353	9	110.4815	1.908	11	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	110.4105	0.261	2	110.4104	2.353	9	110.4815	1.908	11	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	110.4142	2.165	5	110.4104	2.353	9	110.4815	1.908	11	110.5728	1.643	13	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H)	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]O)	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	111.0505	0.209	2	111.0505	0.044	2	111.0940	0.027	3	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H)	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]O)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H){1|O<1>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	111.1810	0.000	1	111.1810	0.000	1	111.0940	0.027	3	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	110.7815	0.121	2	110.7815	0.015	2	108.4608	7.565	4	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]O)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]O){1|H<1>,2|C<3>,2|C<4>}	106.8940	0.000	1	106.8940	0.000	1	108.4608	7.565	4	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]O){1|H<1>,4|C<4>}	105.3860	0.000	1	105.3860	0.000	1	108.4608	7.565	4	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(B[5]C[6a]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	110.6566	2.706	7	110.6566	7.322	7	110.6566	7.322	7	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|C<4>,3|H<1>}	110.2380	0.000	1	110.2380	0.000	1	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H){2|C<4>,2|H<1>}	108.2715	3.164	2	108.2715	10.013	2	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|C<4>,3|H<1>}	111.1163	0.416	3	111.1163	0.173	3	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|C<4>,3|H<1>}	105.9590	0.000	1	105.9590	0.000	1	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,5|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H){2|C<4>,2|H<1>}	110.7150	0.000	1	110.7150	0.000	1	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|H<1>,3|C<4>}	111.2120	0.000	1	109.8915	5.185	13	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|C<4>,3|H<1>}	108.5533	2.642	3	109.8915	5.185	13	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|C<4>,3|H<1>}	109.9237	2.508	7	109.8915	5.185	13	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.5400	0.000	1	109.8915	5.185	13	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){2|C<4>,3|H<1>}	110.7120	0.000	1	109.8915	5.185	13	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	111.1500	0.000	1	111.1130	0.003	2	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>}	111.0760	0.000	1	111.1130	0.003	2	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	111.4350	0.000	1	111.4350	0.000	1	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C){1|H<1>,2|C<4>,2|O<2>}	110.3930	0.000	1	110.3930	0.000	1	109.9779	4.334	25	110.0300	4.915	39	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.3405	0.436	2	111.2043	0.151	3	111.2043	0.151	3	111.2043	0.151	3	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.9320	0.000	1	111.2043	0.151	3	111.2043	0.151	3	111.2043	0.151	3	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:4:1:	4:	3:4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	110.5020	0.059	2	110.6693	0.086	3	110.6693	0.086	3	109.0506	7.008	7	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:4:1:	4:	3:4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	111.0040	0.000	1	110.6693	0.086	3	110.6693	0.086	3	109.0506	7.008	7	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.2085	1.948	2	107.2085	3.795	2	107.8365	9.373	4	109.0506	7.008	7	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	105.0920	0.000	1	105.0920	0.000	1	107.8365	9.373	4	109.0506	7.008	7	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.8370	0.000	1	111.8370	0.000	1	107.8365	9.373	4	109.0506	7.008	7	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.4290	0.291	2	111.4290	0.085	2	111.4290	0.085	2	111.0888	0.171	6	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	110.4350	0.000	1	110.8197	0.151	3	110.9188	0.140	4	111.0888	0.171	6	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	110.8110	0.000	1	110.8197	0.151	3	110.9188	0.140	4	111.0888	0.171	6	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|H<1>,6|C<3>}	111.2130	0.000	1	110.8197	0.151	3	110.9188	0.140	4	111.0888	0.171	6	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){2|H<1>,5|C<3>}	111.2160	0.000	1	111.2160	0.000	1	110.9188	0.140	4	111.0888	0.171	6	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	111.8670	0.000	1	111.8670	0.000	1	110.8195	2.195	2	110.8195	2.195	2	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	109.7720	0.000	1	109.7720	0.000	1	110.8195	2.195	2	110.8195	2.195	2	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[3x5]C[5]O[5])	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>}	H(C[5,5]C[3x5]C[5]O[5])	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>}	108.7050	0.337	2	108.7050	0.113	2	108.7050	0.113	2	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-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)	H(C[5,5]C[5,5,6]C[5]O[5])	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>}	H(C[5,5]C[5,5,6]C[5]O[5])	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>}	112.7430	0.000	1	112.7430	0.000	1	112.3035	0.386	2	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5,6]C[5]O[5])	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>}	H(C[5,5]C[5,5,6]C[5]O[5])	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>}	111.8640	0.000	1	111.8640	0.000	1	112.3035	0.386	2	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]N[5]O[5])	O[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]C)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]N[5]O[5])	O[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]C){1|C<4>,1|H<1>,3|C<3>}	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.5850	0.000	1	111.5850	0.000	1	111.8849	0.103	7	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.5750	0.000	1	111.5750	0.000	1	111.8849	0.103	7	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.9260	0.000	1	111.9260	0.000	1	111.8849	0.103	7	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.0380	0.000	1	112.0620	0.166	3	111.8849	0.103	7	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.0740	0.576	2	112.0620	0.166	3	111.8849	0.103	7	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.9220	0.000	1	111.9220	0.000	1	111.8849	0.103	7	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]C[6a]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]C[6a]O[5]){1|H<1>,1|N<3>,4|C<3>}	112.0545	0.008	2	112.0545	0.000	2	112.0545	0.000	2	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){1|C<2>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|C<2>,1|C<4>,3|C<3>}	111.1690	0.000	1	111.1690	0.000	1	107.5920	9.805	3	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|N<3>}	105.8035	0.646	2	105.8035	0.417	2	107.5920	9.805	3	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[5,5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5,6]O[5])	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>}	H(C[5,5]C[5,5]C[5,6]O[5])	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>}	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	110.7282	4.549	18	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]N[5,5])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]N[5,5])(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.0460	0.482	2	111.0460	0.233	2	111.0460	0.233	2	111.5100	0.391	4	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H)	H(C[5,5]C[5,5]C[5]O[5])	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)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.9740	0.281	2	111.9740	0.079	2	111.9740	0.079	2	111.5100	0.391	4	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]){2|H<1>,4|C<4>}	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.2034	5.022	5	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.2034	5.022	5	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.1420	0.000	1	111.1420	0.000	1	109.7930	9.388	3	110.2034	5.022	5	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.9510	0.000	1	111.9510	0.000	1	109.7930	9.388	3	110.2034	5.022	5	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.2860	0.000	1	106.2860	0.000	1	109.7930	9.388	3	110.2034	5.022	5	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3,5,5]C[5]O[5])	O[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]O[5])	O[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O){2|C<3>,2|C<4>,2|H<1>}	112.5623	0.184	4	112.5623	0.034	4	112.5623	0.034	4	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){3|C<4>,4|H<1>}	110.5840	0.000	2	110.4800	0.014	4	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){3|C<4>,4|H<1>}	110.3760	0.000	2	110.4800	0.014	4	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){3|C<4>,4|H<1>}	110.9330	0.000	1	110.9330	0.000	1	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]O)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	112.3100	0.000	1	112.3100	0.000	1	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	113.1357	2.737	3	113.1357	7.492	3	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	111.1203	1.024	3	111.1203	1.049	3	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]O){1|H<1>,2|C<4>,4|O<2>}	110.4240	0.000	1	110.4240	0.000	1	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,6|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O){1|H<1>,1|O<2>,4|C<4>}	111.3670	0.000	1	111.3670	0.000	1	111.4087	2.445	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[4,5,5]C[5]O[5])	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]O)	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5]O[5])	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]O){3|H<1>,4|C<4>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[4x5]C[5]O[5])	O[5](C[5,5]C[4x5]C[5]H)(C[5]C[3x5]O)	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[4x5]C[5]O[5])	O[5](C[5,5]C[4x5]C[5]H)(C[5]C[3x5]O){1|O<2>,2|H<1>,4|C<4>}	111.7530	0.000	1	111.7530	0.000	1	111.9125	0.051	2	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[4x5]C[5]O[5])	O[5](C[5,5]C[4x5]C[5]H)(C[5]C[3x5]O)	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[4x5]C[5]O[5])	O[5](C[5,5]C[4x5]C[5]H)(C[5]C[3x5]O){1|H<1>,2|O<2>,4|C<4>}	112.0720	0.000	1	112.0720	0.000	1	111.9125	0.051	2	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]O)	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.5460	0.014	2	111.5460	0.000	2	111.8724	0.086	7	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,5,6]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	112.0570	0.232	4	112.0570	0.054	4	111.8724	0.086	7	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2N[5,6])(C[5,5]C[5]2C)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]O)	C[5,5](C[5,5,6]C[5,6]2N[5,6])(C[5,5]C[5]2C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]O){1|N<3>,2|H<1>,4|C<4>}	111.7870	0.000	1	111.7870	0.000	1	111.8724	0.086	7	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	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[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){3|H<1>,4|C<4>}	111.9032	0.177	4	111.9032	0.031	4	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){3|C<4>,4|H<1>}	111.4440	0.184	3	109.6508	7.441	6	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,4|H<1>}	111.3070	0.000	1	109.6508	7.441	6	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){3|C<4>,4|H<1>}	106.1330	0.000	2	109.6508	7.441	6	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	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]2O)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.5580	0.000	1	110.5580	0.000	1	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]S)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|S<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]S){2|H<1>,3|C<4>}	111.5700	0.000	1	111.5700	0.000	1	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	111.8220	0.000	1	111.8715	0.005	2	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	111.9210	0.000	1	111.8715	0.005	2	110.8135	4.080	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.8335	0.151	2	110.8335	0.023	2	111.1330	0.280	3	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	111.7320	0.000	1	111.7320	0.000	1	111.1330	0.280	3	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	111.4052	0.294	4	111.4052	0.086	4	111.1479	0.194	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5]){1|H<1>,2|C<4>,4|C<3>}	111.0450	0.459	10	111.0450	0.210	10	111.1479	0.194	14	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){2|C<4>,5|H<1>}	110.9240	0.000	1	110.9240	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	112.4150	0.000	2	109.6420	10.253	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){3|C<4>,4|H<1>}	106.8690	0.000	2	109.6420	10.253	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	110.6915	1.047	2	110.6915	1.097	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){3|C<4>,4|H<1>}	110.2820	0.000	1	110.2820	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O){1|O<2>,3|C<4>,3|H<1>}	111.0750	0.000	1	111.0750	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<4>,4|H<1>}	107.5700	0.000	1	107.0397	1.155	3	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){2|C<4>,5|H<1>}	106.7745	1.374	2	107.0397	1.155	3	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	110.1380	0.000	1	110.1380	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O){1|H<1>,2|C<4>,4|O<2>}	113.5500	0.335	2	113.5500	0.112	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,3|H<1>}	110.7530	0.000	1	110.7530	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	110.4020	0.000	1	110.7083	0.089	3	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){3|C<4>,4|H<1>}	110.8615	0.192	2	110.7083	0.089	3	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.3400	0.000	1	111.3400	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[3]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[3]N[5]){1|Ni<4>,2|C<4>,3|C<3>,3|H<1>}	111.6603	0.253	4	111.6603	0.064	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5]){1|Ni<5>,1|N<3>,3|C<3>,3|H<1>}	112.0440	0.000	1	112.0440	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|Ir<4>,3|H<1>,4|C<3>}	112.1090	0.000	1	112.0817	0.951	6	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|Ir<6>,3|H<1>,4|C<3>}	112.3370	2.004	2	112.0817	0.951	6	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|Rh<8>,3|H<1>,4|C<3>}	112.4670	0.000	1	112.0817	0.951	6	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,3|H<1>}	111.6200	0.180	2	112.0817	0.951	6	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	111.2720	0.000	1	111.2934	0.075	5	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){1|Rh<4>,2|C<3>,3|H<1>}	111.5505	0.203	2	111.2934	0.075	5	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){1|Zn<4>,2|C<3>,3|H<1>}	111.0470	0.062	2	111.2934	0.075	5	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|S<3>,2|C<3>,3|H<1>}	112.6750	0.000	1	112.2840	0.306	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O){3|C<3>,3|H<1>}	111.8930	0.000	1	112.2840	0.306	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O){2|C<3>,3|H<1>}	111.8250	0.198	2	111.8250	0.039	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){3|C<4>,4|H<1>}	110.0610	0.000	1	110.0610	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]C[5]CC)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	111.2220	0.000	1	111.2220	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	111.2900	0.274	5	109.4336	6.102	13	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){3|C<4>,4|H<1>}	106.4510	1.241	4	109.4336	6.102	13	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){3|C<3>,3|H<1>}	109.7877	2.509	3	109.4336	6.102	13	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){2|C<4>,5|H<1>}	111.0200	0.000	1	109.4336	6.102	13	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.5270	0.000	1	110.5270	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.4990	0.000	1	108.6575	29.514	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]2H)(C[5]O[5]CH)(O[5]C[5])(H){2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	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>,4|H<1>}	104.8160	0.000	1	108.6575	29.514	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]C)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.8070	0.000	1	111.8070	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.9030	0.000	1	110.9030	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|F<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){2|C<3>,2|H<1>,3|C<4>}	111.4685	0.588	2	111.3000	0.155	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){2|C<3>,2|H<1>,3|C<4>}	111.1315	0.070	2	111.3000	0.155	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.2240	0.000	1	110.2240	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.0720	0.000	1	112.0720	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C){1|O<2>,2|C<4>,4|H<1>}	112.5275	0.320	2	112.5275	0.103	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,2|O<2>,4|H<1>}	111.9250	0.000	1	112.0130	0.087	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,1|O<2>,5|H<1>}	111.7270	0.000	1	112.0130	0.087	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	112.2000	0.320	2	112.0130	0.087	4	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,1|O<2>,5|H<1>}	112.0315	0.308	2	112.0315	0.095	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,2|O<2>,4|H<1>}	111.9920	0.000	1	112.0698	0.164	10	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	112.1300	0.000	1	112.0698	0.164	10	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,2|O<2>,4|H<1>}	112.0665	0.534	6	112.0698	0.164	10	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	111.9420	0.000	1	112.0698	0.164	10	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	112.2350	0.000	1	112.0698	0.164	10	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	107.9060	0.000	1	107.9060	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	106.3740	0.000	1	107.5635	2.830	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	108.7530	0.000	1	107.5635	2.830	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H){1|N<2>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N){1|Br<1>,1|H<1>,2|O<2>,3|C<4>}	112.4950	0.000	1	112.4950	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	112.1840	0.334	2	112.1840	0.111	2	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	112.3320	0.000	1	112.3320	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|O<2>}	112.5650	0.000	1	112.5650	0.000	1	110.9271	3.775	92	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-3:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(B[5]C[6a]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(B[5]C[6a]O[5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.2556	2.313	7	111.2556	5.350	7	111.2556	5.350	7	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	111.1066	3.073	159	110.8388	3.804	290	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.3500	0.000	1	111.3500	0.000	1	110.2020	2.636	2	110.2020	2.636	2	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.0540	0.000	1	109.0540	0.000	1	110.2020	2.636	2	110.2020	2.636	2	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5])	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,3x6]O)	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H){1|O<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,3x6]O){1|H<1>,2|O<2>,4|C<4>}	111.4808	0.123	4	111.4808	0.015	4	111.4808	0.015	4	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){2|Br<1>,1|N<3>,2|C<4>,2|H<1>}	112.0830	0.000	1	112.3340	0.126	2	112.3340	0.126	2	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	112.5850	0.000	1	112.3340	0.126	2	112.3340	0.126	2	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	115.0210	0.000	1	109.8807	3.414	10	109.8807	3.414	10	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	109.7105	0.226	2	109.8807	3.414	10	109.8807	3.414	10	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	109.0383	0.424	4	109.8807	3.414	10	109.8807	3.414	10	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	109.2650	0.000	1	109.8807	3.414	10	109.8807	3.414	10	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	109.4735	0.327	2	109.8807	3.414	10	109.8807	3.414	10	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,4x6]C[4x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]O)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,4x6]C[4x6]O[5])	O[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]O){2|H<1>,5|C<4>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,3x6]C[5,4x6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,4x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,4x6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,4x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,4x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]O)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]O){1|H<1>,2|O<2>,4|C<4>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	108.4080	0.000	1	107.6840	1.048	2	107.6840	1.048	2	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	106.9600	0.000	1	107.6840	1.048	2	107.6840	1.048	2	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	108.8660	0.219	6	108.8660	0.048	6	108.8297	0.045	9	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	108.6275	0.012	2	108.6275	0.000	2	108.8297	0.045	9	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]O[5]C)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]O[5]C){2|H<1>,3|C<4>}	109.0160	0.000	1	109.0160	0.000	1	108.8297	0.045	9	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	106.0010	0.000	1	106.9275	1.717	2	106.9275	1.717	2	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]){1|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	107.8540	0.000	1	106.9275	1.717	2	106.9275	1.717	2	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	107.6410	0.000	1	108.0205	0.069	4	108.0205	0.069	4	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	108.1310	0.119	2	108.0205	0.069	4	108.0205	0.069	4	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<4>,2|C<3>,2|H<1>,3|C<4>}	108.1790	0.000	1	108.0205	0.069	4	108.0205	0.069	4	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	109.3584	2.932	38	109.4192	2.826	41	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:2:2:1:	4:	4:3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]O){1|C<4>,1|O<2>,2|C<3>}	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:3:2:1:	4:	4:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6,6]C[5,6]O[5])	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>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	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>}	109.7665	0.310	4	109.7665	0.096	4	109.7665	0.096	4	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6,6]C[6]O[5])	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>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|H<1>,3|C<4>}	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6a]C[6]O[5])	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6a]C[6]O[5])	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	108.4940	0.000	1	108.4940	0.000	1	108.6345	0.039	2	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6a]C[6]O[5])	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6a]C[6]O[5])	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,2|C<3>,2|H<1>}	108.7750	0.000	1	108.7750	0.000	1	108.6345	0.039	2	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	109.5590	0.000	1	109.5590	0.000	1	108.0703	6.169	3	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	109.4490	0.000	1	109.4490	0.000	1	108.0703	6.169	3	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	105.2030	0.000	1	105.2030	0.000	1	108.0703	6.169	3	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	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>,3|C<4>}	109.1520	0.000	1	108.0750	0.528	16	108.0750	0.528	16	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	107.8073	0.808	6	108.0750	0.528	16	108.0750	0.528	16	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|H<1>,4|C<4>}	108.6655	0.894	2	108.0750	0.528	16	108.0750	0.528	16	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	107.8808	0.467	6	108.0750	0.528	16	108.0750	0.528	16	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|H<1>,3|C<4>}	108.5880	0.000	1	108.0750	0.528	16	108.0750	0.528	16	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(B[5]C[6a]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	104.9110	0.000	1	108.6690	3.052	7	108.6690	3.052	7	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	109.4312	0.566	5	108.6690	3.052	7	108.6690	3.052	7	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){2|H<1>,5|C<3>}	108.6160	0.000	1	108.6690	3.052	7	108.6690	3.052	7	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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[6a]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	111.6410	0.000	1	111.6410	0.000	1	108.7001	2.352	10	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C){1|H<1>,4|C<3>}	108.0450	0.000	1	108.0450	0.000	1	108.7001	2.352	10	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	108.0657	2.028	3	108.6260	2.052	6	108.7001	2.352	10	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.0760	0.276	2	108.6260	2.052	6	108.7001	2.352	10	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.4070	0.000	1	108.6260	2.052	6	108.7001	2.352	10	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	3:4:2:1:	4:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O){2|H<1>,3|C<3>}	107.7795	0.322	2	107.7795	0.104	2	108.7001	2.352	10	108.5525	1.681	44	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	109.5025	1.121	2	109.5025	1.256	2	109.5025	1.256	2	109.5025	1.256	2	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:2:1:	4:	4:3:	C[3x5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[3x5,6]O[5]O[6])	O[5](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5]O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H){2|H<1>,2|O<1>,6|C<4>}	H(C[5,6]C[3x5,6]O[5]O[6])	O[5](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5]O){1|C<3>,1|H<1>,3|C<4>}	110.4625	0.040	2	110.4625	0.002	2	110.4625	0.002	2	109.1495	1.272	6	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>}	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.1495	1.272	6	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	107.9410	0.000	1	107.9410	0.000	1	108.2490	0.237	3	109.1495	1.272	6	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|H<1>,2|C<4>}	107.9960	0.000	1	107.9960	0.000	1	108.2490	0.237	3	109.1495	1.272	6	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|O<2>,2|C<3>}	108.8100	0.000	1	108.8100	0.000	1	108.2490	0.237	3	109.1495	1.272	6	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	110.3177	0.703	6	109.2738	5.584	11	109.2738	5.584	11	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	110.1700	0.000	1	109.2738	5.584	11	109.2738	5.584	11	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	110.1650	0.000	1	109.2738	5.584	11	109.2738	5.584	11	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	108.3815	2.094	2	109.2738	5.584	11	109.2738	5.584	11	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	103.0080	0.000	1	109.2738	5.584	11	109.2738	5.584	11	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	104.2180	0.000	1	104.2180	0.000	1	106.8993	5.400	3	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.2400	0.123	2	108.2400	0.015	2	106.8993	5.400	3	108.7650	6.149	14	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	108.9570	0.000	1	108.9570	0.000	1	108.8783	2.172	20	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	109.2730	0.000	1	109.2730	0.000	1	108.8783	2.172	20	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	109.5160	0.000	1	108.8519	2.417	18	108.8783	2.172	20	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	108.8129	1.593	17	108.8519	2.417	18	108.8783	2.172	20	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	109.5340	0.000	1	109.5340	0.000	1	109.1495	0.296	2	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.7650	0.000	1	108.7650	0.000	1	109.1495	0.296	2	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	105.0760	0.000	1	107.1549	18.342	7	107.3461	14.344	10	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	109.9070	0.000	1	107.1549	18.342	7	107.3461	14.344	10	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.2305	0.345	4	107.1549	18.342	7	107.3461	14.344	10	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	98.1791	0.000	1	107.1549	18.342	7	107.3461	14.344	10	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.4410	0.000	1	104.4410	0.000	1	107.3461	14.344	10	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.4680	1.160	2	109.4680	1.345	2	107.3461	14.344	10	108.4164	6.047	32	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.7570	0.000	1	110.7570	0.000	1	110.7570	0.000	1	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	103.3050	0.000	1	103.3050	0.000	1	102.8175	0.475	2	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	102.3300	0.000	1	102.3300	0.000	1	102.8175	0.475	2	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	110.6280	0.000	1	109.9505	0.918	2	109.9505	0.918	2	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|H<1>,1|O<1>,3|C<4>}	109.2730	0.000	1	109.9505	0.918	2	109.9505	0.918	2	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	110.2565	0.730	6	110.1461	0.529	7	110.1461	0.529	7	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	109.4840	0.000	1	110.1461	0.529	7	110.1461	0.529	7	108.9430	8.642	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,2|H<1>,3|C<4>}	108.0925	0.289	2	108.0925	0.084	2	108.0925	0.084	2	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O){1|O<2>,2|C<4>,3|C<3>}	109.9170	0.000	1	109.8300	0.015	2	109.8300	0.015	2	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	109.7430	0.000	1	109.8300	0.015	2	109.8300	0.015	2	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H){1|O<1>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>}	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:N[5a,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]N[5a,6]O[5])	O[5](C[5,6]C[5,5,6]N[5a,6]H)(C[5]N[5]N)	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]N[5a,6]O[5])	O[5](C[5,6]C[5,5,6]N[5a,6]H)(C[5]N[5]N){1|C<4>,1|N<3>,2|C<3>}	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	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](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	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>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	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>}	109.8865	0.132	2	109.8865	0.017	2	109.8865	0.017	2	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]O)	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]O){2|C<4>,3|C<3>}	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	108.2865	0.066	2	108.2865	0.004	2	108.4174	0.040	12	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	108.5255	0.121	8	108.4436	0.043	10	108.4174	0.040	12	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	108.2130	0.000	1	108.4436	0.043	10	108.4174	0.040	12	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	108.0190	0.000	1	108.4436	0.043	10	108.4174	0.040	12	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	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>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	108.8710	0.000	1	108.8710	0.000	1	109.1958	1.008	4	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	108.6370	0.462	2	109.3040	1.442	3	109.1958	1.008	4	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	110.6380	0.000	1	109.3040	1.442	3	109.1958	1.008	4	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[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](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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>}	H(C[5,6]C[5,6]C[6,6]O[5])	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>}	109.0440	0.000	1	109.0440	0.000	1	109.2765	0.108	2	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[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](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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>}	H(C[5,6]C[5,6]C[6,6]O[5])	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>}	109.5090	0.000	1	109.5090	0.000	1	109.2765	0.108	2	108.8755	0.778	28	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H){1|C<4>,2|H<1>,5|C<3>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	109.1575	0.979	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H){2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	110.7950	0.000	1	110.7950	0.000	1	111.1260	0.219	2	109.1575	0.979	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	111.4570	0.000	1	111.4570	0.000	1	111.1260	0.219	2	109.1575	0.979	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	108.6272	0.435	5	108.6272	0.189	5	108.7482	0.154	9	109.1575	0.979	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H){4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.8995	0.322	4	108.8995	0.104	4	108.7482	0.154	9	109.1575	0.979	12	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.6432	0.474	5	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	109.6432	0.474	5	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|Br<1>,2|C<4>,3|H<1>}	110.3010	0.000	1	110.3010	0.000	1	109.4740	0.606	3	109.6432	0.474	5	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|H<1>,2|O<2>,3|C<3>}	109.3660	0.000	1	109.3660	0.000	1	109.4740	0.606	3	109.6432	0.474	5	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	108.7550	0.000	1	108.7550	0.000	1	109.4740	0.606	3	109.6432	0.474	5	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[3,5,6]C[6,6]O[5])	O[5](C[5,6]C[3,5,6]C[6,6]H)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[6,6]O[5])	O[5](C[5,6]C[3,5,6]C[6,6]H)(C[5]C[3,5]O){1|O<2>,2|C<4>,3|H<1>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[3,5,6]C[6]O[5])	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|S<4>}	H(C[5,6]C[3,5,6]C[6]O[5])	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O){1|N<3>,1|O<2>,4|H<1>}	109.8360	0.000	1	109.8360	0.000	1	110.7443	0.622	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[3,5,6]C[6]O[5])	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]N[3,5]O)	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[3,5,6]C[6]O[5])	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]N[3,5]O){1|O<2>,2|C<4>,2|H<1>}	111.1985	0.074	2	111.1985	0.006	2	110.7443	0.622	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]O)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,8|H<1>}	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[3x6]C[5,6]O[5])	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5,6]O)	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[3x6]C[5,6]O[5])	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5,6]O){3|H<1>,4|C<4>}	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	H(C[5,6]C[4,6]C[5,6]O[5])	O[5](C[5,6]C[4,6]C[5,6]H)(C[5]N[5]O)	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]O[5])	O[5](C[5,6]C[4,6]C[5,6]H)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	H(C[5,6]C[5,3x6]C[5,6]O[5])	O[5](C[5,6]C[5,3x6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O[5])	O[5](C[5,6]C[5,3x6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	109.3037	0.045	3	109.3037	0.002	3	109.3037	0.002	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,3|C<4>,3|H<1>}	109.0000	0.163	2	109.0000	0.026	2	109.0000	0.026	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	H(C[5,6]C[5,5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	H(C[5,6]C[5,5,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	107.9950	0.359	2	107.9950	0.129	2	107.9950	0.129	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[3,5,5]O)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[3,5,5]O){1|H<1>,2|O<2>,4|C<4>}	109.7075	0.080	2	109.7075	0.006	2	109.7075	0.006	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O){2|H<1>,2|O<2>,3|C<4>}	110.7710	0.247	2	110.7710	0.061	2	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C){1|C<3>,2|H<1>,3|C<4>}	108.6170	0.000	1	108.6170	0.000	1	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){3|H<1>,4|C<4>}	109.1045	0.510	2	109.1045	0.260	2	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,2|C<4>,4|H<1>}	108.6155	0.075	4	108.8772	0.382	6	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,2|C<4>,4|H<1>}	108.6680	0.000	1	108.8772	0.382	6	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|N<2>,2|C<4>,3|H<1>}	110.1330	0.000	1	108.8772	0.382	6	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.0930	0.000	1	110.0930	0.000	1	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,3|C<4>,3|H<1>}	109.2170	0.000	1	109.2170	0.000	1	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	109.4640	0.000	1	109.4640	0.000	1	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O){1|Br<1>,1|H<1>,4|C<4>}	107.0240	0.000	1	107.0240	0.000	1	109.1619	0.981	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.9090	0.000	1	108.6085	0.041	4	108.6085	0.041	4	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	108.5083	0.029	3	108.6085	0.041	4	108.6085	0.041	4	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,3x6]O)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|Si<4>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,3x6]O){2|H<1>,2|O<2>,3|C<4>}	111.7990	0.054	2	111.7990	0.003	2	111.7990	0.003	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.6130	0.000	1	109.6130	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.0190	0.000	1	109.0190	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O){1|H<1>,6|C<4>}	110.5500	0.048	2	110.5500	0.002	2	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,3|C<4>,3|H<1>}	110.5230	0.000	1	110.5230	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.6810	0.000	1	110.6810	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	107.5710	0.000	1	107.5710	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	105.0650	0.000	1	106.1595	2.396	2	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	107.2540	0.000	1	106.1595	2.396	2	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	110.0640	0.000	1	110.0640	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.9220	0.000	1	110.2135	3.336	2	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	111.5050	0.000	1	110.2135	3.336	2	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	108.9550	0.000	1	108.9550	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	107.7380	0.000	1	107.7380	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	109.5800	0.000	1	109.5800	0.000	1	109.1727	2.843	15	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	H(C[5,6]C[4,6]C[5,6]O[5])	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[4,6]C[5,6]O[5])	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	109.5590	0.000	1	108.7385	1.346	2	108.7385	1.346	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	H(C[5,6]C[4,6]C[5,6]O[5])	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[4,6]C[5,6]O[5])	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	107.9180	0.000	1	108.7385	1.346	2	108.7385	1.346	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.5940	0.000	1	109.5940	0.000	1	109.7070	0.506	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	109.0590	0.000	1	109.0590	0.000	1	109.7070	0.506	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5])	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	110.4680	0.000	1	110.4680	0.000	1	109.7070	0.506	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5,6]O){1|O<2>,3|C<4>,3|H<1>}	111.0085	0.016	2	111.0085	0.000	2	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	108.8750	0.000	1	108.8750	0.000	1	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6,6]C[5]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	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]C)(C[5,6]C[6,6]C[5]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]O){1|C<3>,2|H<1>,4|C<4>}	108.7000	0.000	1	108.7000	0.000	1	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	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]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	108.4860	0.000	1	108.4860	0.000	1	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	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]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	109.2925	0.167	4	109.2925	0.028	4	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5,6]O){1|O<2>,2|C<4>,4|H<1>}	112.0080	0.000	1	112.0080	0.000	1	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	109.6055	0.141	2	109.6055	0.020	2	109.7056	1.154	12	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	106.8970	0.000	1	106.8970	0.000	1	108.1450	3.115	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.3930	0.000	1	109.3930	0.000	1	108.1450	3.115	2	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.4540	0.000	1	110.4540	0.000	1	109.9330	0.749	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.4110	0.000	1	110.4110	0.000	1	109.9330	0.749	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){3|H<1>,4|C<3>}	108.9340	0.000	1	108.9340	0.000	1	109.9330	0.749	3	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	104.2310	0.000	1	104.2310	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|H<1>,5|C<4>}	109.1590	0.000	1	109.1590	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O){1|Br<1>,3|C<4>,3|H<1>}	110.7180	0.000	1	110.7180	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O){1|C<3>,3|C<4>,3|H<1>}	109.0350	0.000	1	108.2497	0.195	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O){3|H<1>,4|C<4>}	108.0926	0.243	5	108.2497	0.195	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O){1|H<1>,1|I<1>,1|O<2>,4|C<4>}	109.5100	0.000	1	109.5100	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	106.2770	0.000	1	106.2770	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O){3|H<1>,4|C<4>}	110.3672	0.193	4	110.3672	0.037	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	110.8140	0.000	1	110.8140	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	111.1420	0.000	1	111.1420	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.1725	0.459	6	111.0950	0.218	7	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|O<2>,3|C<4>,3|H<1>}	110.6300	0.000	1	111.0950	0.218	7	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.0980	0.195	2	111.1223	0.021	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|O<2>,3|C<4>,3|H<1>}	111.1710	0.000	1	111.1223	0.021	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	106.4620	0.731	2	106.4620	0.535	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	108.8000	0.000	1	108.5050	1.554	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	109.2770	0.000	2	108.5050	1.554	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	106.6660	0.000	1	108.5050	1.554	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	109.4733	0.473	6	108.6085	2.203	11	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	110.1900	0.000	1	108.6085	2.203	11	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	106.9158	0.906	4	108.6085	2.203	11	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	104.1750	0.000	1	104.1750	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<4>,2|C<3>,4|H<1>}	111.1540	0.000	1	111.1630	0.000	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<4>,5|H<1>}	111.1720	0.000	1	111.1630	0.000	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|Br<1>,2|C<4>,4|H<1>}	105.5550	0.000	1	105.5550	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<2>,2|C<4>,4|H<1>}	110.8593	1.334	3	111.0110	1.279	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,4|H<1>}	111.4660	0.000	1	111.0110	1.279	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<4>,1|N<3>,5|H<1>}	111.2810	0.000	1	111.3405	0.007	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,4|H<1>}	111.4000	0.000	1	111.3405	0.007	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|N<2>,2|C<4>,4|H<1>}	111.4395	0.125	2	111.4395	0.016	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<4>,2|O<2>,3|H<1>}	110.7690	0.000	1	110.7690	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<4>,1|S<2>,2|O<2>,3|H<1>}	110.7040	0.048	3	110.7040	0.002	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){3|C<4>,3|H<1>}	108.2840	0.000	1	108.2840	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	108.9660	0.276	2	108.9660	0.076	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	108.0180	0.000	1	108.0180	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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)(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Br<1>,3|C<4>,3|H<1>}	109.7973	0.493	3	109.7973	0.243	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Cl<1>,3|C<4>,3|H<1>}	109.0695	0.011	2	109.0695	0.000	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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)(C[6]C[6]HH)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	107.9610	0.345	2	107.9610	0.119	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|I<1>,3|C<4>,3|H<1>}	109.9496	0.269	5	109.9496	0.073	5	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	109.7420	0.000	1	109.7420	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.6450	0.000	1	108.6120	0.448	8	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	109.1010	0.000	1	108.6120	0.448	8	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	107.9480	0.173	3	108.6120	0.448	8	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	108.5200	0.064	2	108.6120	0.448	8	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	109.2660	0.000	1	108.6120	0.448	8	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.6870	0.000	1	109.6870	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	109.9400	0.000	1	100.6763	171.630	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	91.4127	0.000	1	100.6763	171.630	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	108.4070	0.096	2	108.4070	0.009	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.3010	0.000	1	109.3010	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	108.4090	0.000	1	108.8730	0.176	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	109.2270	0.000	1	108.8730	0.176	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	108.9830	0.000	1	108.8730	0.176	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	109.8850	0.000	1	109.8850	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	108.9330	0.000	1	108.9330	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	109.1590	0.000	1	109.1360	0.001	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	109.1130	0.000	1	109.1360	0.001	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	107.5490	0.000	1	107.5490	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.0850	0.000	1	110.0850	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	107.8920	0.000	1	107.8920	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	109.1240	0.253	3	109.1240	0.064	3	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	109.9650	0.158	2	109.9650	0.025	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	109.3360	0.000	1	109.3360	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|O<2>,4|H<1>}	107.8053	1.068	3	108.3008	2.496	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	108.9580	2.927	2	108.3008	2.496	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	108.4730	0.000	1	108.3008	2.496	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	108.5830	0.000	1	108.5830	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	110.1400	0.000	1	110.1400	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	108.5170	0.000	1	108.5170	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	109.7360	0.153	2	109.7405	0.185	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	109.7428	0.548	4	109.7405	0.185	6	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|Br<1>,2|C<4>,3|H<1>}	109.7070	0.000	1	109.7070	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	108.7510	0.000	1	108.4288	1.467	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	109.3850	0.000	1	108.4288	1.467	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>}	108.9220	0.000	1	108.4288	1.467	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|S<4>,2|C<4>,3|H<1>}	106.6570	0.000	1	108.4288	1.467	4	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.2030	0.000	1	108.2030	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	109.6490	0.000	1	109.6490	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|O<2>,2|C<4>,3|H<1>}	110.0950	0.023	2	110.0950	0.001	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	109.0590	0.496	2	109.0590	0.246	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S){2|H<1>,3|C<4>}	108.9960	0.375	2	108.9960	0.140	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){2|C<4>,3|H<1>}	109.1925	0.074	2	109.1925	0.006	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S){2|C<4>,3|H<1>}	110.9700	0.141	2	110.9700	0.020	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	110.5405	0.025	2	110.5405	0.001	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	109.5810	0.000	1	109.5810	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.5000	0.000	1	110.5000	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	109.1529	0.477	8	109.1529	0.227	8	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){2|N<3>,3|H<1>}	109.0150	0.335	2	109.0150	0.112	2	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]N)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]N){1|C<4>,2|H<1>,2|O<2>}	109.3170	0.000	1	109.3170	0.000	1	109.1859	3.997	156	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	109.3370	0.000	1	109.3370	0.000	1	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]O)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]O){1|O<2>,3|C<4>,3|H<1>}	111.1800	0.000	1	111.1800	0.000	1	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	108.2115	0.231	2	108.4967	0.271	3	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.0670	0.000	1	108.4967	0.271	3	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.5590	0.000	1	108.5590	0.000	1	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.5130	0.250	2	108.5130	0.063	2	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	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]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|Si<4>,1|O<2>,2|C<4>,3|H<1>}	107.1000	0.000	1	107.1000	0.000	1	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	110.6250	0.000	1	110.6250	0.000	1	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.8280	0.000	1	109.8280	0.000	1	109.0132	1.383	11	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	109.2298	3.060	246	109.0566	3.176	405	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.6060	0.000	1	110.6060	0.000	1	110.3036	0.046	12	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.4820	0.000	1	110.2761	0.041	11	110.3036	0.046	12	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{1|C<3>,2|C<4>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	110.5450	0.013	2	110.2761	0.041	11	110.3036	0.046	12	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>}	110.2100	0.154	4	110.2761	0.041	11	110.3036	0.046	12	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.1562	0.160	4	110.2761	0.041	11	110.3036	0.046	12	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	110.0965	0.369	11	110.1191	0.069	41	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Ge<3>,2|C<3>}	110.0888	0.157	8	110.1191	0.069	41	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|N<3>,2|C<3>}	110.1010	0.000	1	110.1191	0.069	41	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<6>,2|C<3>}	110.1296	0.200	15	110.1191	0.069	41	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<7>,2|C<3>}	110.0670	0.397	4	110.1191	0.069	41	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){3|C<3>}	110.3995	0.016	2	110.1191	0.069	41	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.0151	0.187	29	110.1184	0.305	43	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|N<3>,2|C<3>}	109.9025	0.042	2	110.1184	0.305	43	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){3|C<3>}	110.4040	0.974	12	110.1184	0.305	43	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Al<4>,2|C<3>}	110.0895	0.035	2	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Br<1>,2|C<3>}	110.0086	0.307	7	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.0472	0.380	19	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Cu<3>,2|C<3>}	110.2730	0.014	2	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9792	0.909	2288	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Ir<8>,2|C<3>}	110.4250	0.007	2	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	109.8893	0.666	68	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|P<4>,2|C<3>}	110.0150	0.052	2	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Sn<3>,2|C<3>}	109.8413	0.186	6	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Zn<4>,2|C<3>}	110.1159	0.142	7	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	110.0088	0.531	57	109.9788	0.789	2460	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH){3|C<3>}	110.1690	0.181	14	110.1690	0.033	14	109.9844	0.766	2558	109.9859	0.763	2570	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:1:1:	4:	4:3:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(H)2	H(C[5]O[5]2H)	O[5](C[5]O[5]HH)(C[5]C[5]C)	C[5](O[5]C[5])2(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5]O[5]HH)(C[5]C[5]C){1|C<3>}	110.3303	1.935	8	110.3303	3.745	8	110.3303	3.745	8	110.3303	3.745	8	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:4:1:	4:	4:3:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CC3)(H)	H(C[5]O[5]2C)	O[5](C[5]O[5]CH)(C[5]C[5]O)	C[5](O[5]C[5])2(CC3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]O[5]2C)	O[5](C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>}	109.0715	0.588	2	107.8793	4.436	3	107.8793	4.436	3	107.8793	4.436	3	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	2:2:4:1:	4:	4:3:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CC3)(H)	H(C[5]O[5]2C)	O[5](C[5]O[5]CH)(C[5]C[5]O)	C[5](O[5]C[5])2(CC3)(H){1|C<4>,1|O<1>,1|S<2>}	H(C[5]O[5]2C)	O[5](C[5]O[5]CH)(C[5]C[5]O){1|C<4>,1|S<2>}	105.4950	0.000	1	107.8793	4.436	3	107.8793	4.436	3	107.8793	4.436	3	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	3:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>}	110.8557	0.072	3	110.8557	0.005	3	110.8557	0.005	3	110.6110	0.104	10	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	3:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH){4|C<3>}	110.8770	0.025	2	110.8770	0.001	2	110.8770	0.001	2	110.6110	0.104	10	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	3:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>}	110.4460	0.040	2	110.4460	0.002	2	110.4460	0.002	2	110.6110	0.104	10	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	3:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<3>,2|C<4>}	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.6110	0.104	10	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	3:4:	O[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a]Li)(O[5]C[5,6a])(H)2	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5](O[5]C[5,6a]Li)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]O[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Li<3>,1|H<1>,2|C<3>}	110.0980	0.119	2	110.0980	0.014	2	110.0980	0.014	2	110.6110	0.104	10	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:2:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>}	110.8290	0.034	2	110.8290	0.001	2	110.8290	0.001	2	110.8290	0.001	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,5,6]O[5]H)	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>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[4x5,6]O){1|C<3>,2|C<4>}	111.0095	0.021	2	111.0095	0.000	2	111.0095	0.000	2	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,5]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,5]O[5]H)	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>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<3>,1|C<4>}	111.0895	0.035	2	111.0895	0.001	2	111.0895	0.001	2	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N){1|C<3>,1|N<3>}	111.0815	0.016	2	111.0815	0.000	2	111.0105	0.004	8	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O){2|C<3>}	110.9660	0.044	4	110.9868	0.002	6	111.0105	0.004	8	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O){2|C<3>}	111.0285	0.025	2	110.9868	0.002	6	111.0105	0.004	8	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6,6]O[5]H)	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>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O){2|C<4>}	111.1317	0.030	6	111.1317	0.001	6	110.9670	0.062	9	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6,6]O[5]H)	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>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O){3|C<3>}	110.6377	0.010	3	110.6377	0.000	3	110.9670	0.062	9	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	109.4730	0.560	2	109.4730	0.314	2	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>}	110.1555	1.788	2	110.5930	0.594	8	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|O<2>}	110.8858	0.031	4	110.5930	0.594	8	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	110.4450	0.433	2	110.5930	0.594	8	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>}	110.9030	0.076	2	110.8528	0.003	11	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	110.8150	0.047	3	110.8528	0.003	11	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	110.8550	0.035	6	110.8528	0.003	11	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	109.8550	0.075	2	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|O<2>}	110.9755	0.006	2	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	110.9634	0.075	9	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	110.7380	0.000	1	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|N<3>}	110.8835	0.019	2	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.9290	0.021	2	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>}	110.8195	0.110	6	110.8172	0.098	24	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|N<3>}	111.1045	0.219	10	111.0977	0.039	12	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|N<3>}	111.0635	0.019	2	111.0977	0.039	12	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|O<2>}	111.1835	0.019	2	111.1835	0.000	2	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>}	110.9765	0.022	2	110.9765	0.000	2	110.8225	0.208	61	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H)	H(C[5]C[5,6a]O[5]Cl)	O[5](C[5]C[5,6a]ClH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]Cl)	O[5](C[5]C[5,6a]ClH)(C[5]C[5,6a]O){2|C<3>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(B[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(B[5]C[5,6a]O){2|C<3>}	110.5529	0.060	13	110.5529	0.004	13	110.5529	0.004	13	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.9940	0.008	2	110.9940	0.000	2	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C){2|C<3>}	110.8945	0.049	2	110.8945	0.002	2	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ir)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|Ir<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ir){2|C<3>}	111.0025	0.036	2	111.0025	0.001	2	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N){2|C<3>}	111.0420	0.023	2	111.0420	0.001	2	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|Br<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.9187	0.033	3	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.7826	0.080	16	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.5276	1.701	31	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	110.9615	0.132	4	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.8050	0.017	2	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.9069	0.058	8	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	110.9387	0.103	7	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.9020	2.328	4	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.6115	1.805	6	110.4715	1.958	81	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	110.8520	0.020	4	110.8520	0.000	4	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	111.2810	0.008	2	111.2810	0.000	2	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	110.8330	0.096	2	110.8330	0.009	2	110.5535	1.669	97	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<4>}	110.8635	0.013	2	110.8635	0.000	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[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|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	110.7445	0.024	4	110.7209	0.022	34	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.7750	0.014	2	110.7209	0.022	34	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[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>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<4>}	110.7297	0.057	3	110.7209	0.022	34	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.7135	0.175	24	110.7209	0.022	34	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[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>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	110.6700	0.000	1	110.7209	0.022	34	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|S<4>}	108.8555	0.852	2	108.8555	0.726	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>}	110.7077	0.075	3	110.4535	0.234	17	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	110.5045	0.159	4	110.4535	0.234	17	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|H<1>}	110.7080	0.008	2	110.4535	0.234	17	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.1982	0.766	6	110.4535	0.234	17	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>}	110.4815	0.033	2	110.4535	0.234	17	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	110.9245	0.093	4	110.9245	0.009	4	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]H){3|H<1>}	111.4565	0.296	2	111.4565	0.088	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|H<1>}	110.9095	0.009	2	110.8694	0.007	20	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.8649	0.089	18	110.8694	0.007	20	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<2>}	110.7862	0.031	4	110.8249	0.006	15	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>}	110.8652	0.067	9	110.8249	0.006	15	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>}	110.7205	0.033	2	110.8249	0.006	15	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|O<1>}	110.5675	0.011	2	110.6246	0.010	8	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]N){1|C<4>,1|O<1>}	110.6437	0.109	6	110.6246	0.010	8	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>}	110.9537	0.026	4	110.7583	0.022	12	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<1>}	110.6442	0.025	4	110.7583	0.022	12	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>}	110.6770	0.049	4	110.7583	0.022	12	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>}	110.5735	0.122	12	110.6666	0.074	14	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>}	111.2250	0.276	2	110.6666	0.074	14	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]Mn){2|C<3>}	111.1045	0.023	2	111.1045	0.001	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|S<4>}	110.7890	0.031	2	110.7890	0.001	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){2|C<3>}	110.8095	0.021	2	110.8095	0.000	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,1|O<1>}	108.3555	0.040	2	108.3555	0.002	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]N){1|C<3>}	111.1120	0.103	4	111.1120	0.011	4	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){1|C<3>}	110.9395	0.026	2	110.9395	0.001	2	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]S[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]S[5]N){1|C<3>}	109.8410	0.000	1	109.8410	0.000	1	110.6879	0.208	145	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]N[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	110.7819	0.057	8	110.7857	0.003	9	110.7857	0.003	9	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]N[5]O[5]H)	O[5](C[5]N[5]HH)(C[5]C[5]O){1|C<3>,2|C<4>}	110.8160	0.000	1	110.7857	0.003	9	110.7857	0.003	9	110.6890	0.603	347	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	3:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:	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)	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO){4|C<3>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	110.1360	4.252	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	3:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H)	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|H<1>,1|O<1>,2|C<3>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	110.1360	4.252	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	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)	H(C[5]C[5,6]O[5]O)	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>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){2|C<4>}	111.1410	0.000	1	111.1410	0.000	1	110.3910	0.422	3	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	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)	H(C[5]C[5,6]O[5]O)	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>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){2|C<4>}	110.0160	0.031	2	110.0160	0.001	2	110.3910	0.422	3	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6a]-3:O[5]-2:N-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H)	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	110.4770	0.000	1	110.4770	0.000	1	110.8598	1.173	8	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	110.5225	0.078	2	110.5225	0.006	2	110.8598	1.173	8	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	109.5970	0.000	1	111.0712	1.903	5	110.8598	1.173	8	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	111.4398	1.277	4	111.0712	1.903	5	110.8598	1.173	8	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.6683	0.719	3	110.6683	0.517	3	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>}	110.7950	0.000	1	110.2720	0.567	4	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.0977	0.818	3	110.2720	0.567	4	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	108.0598	4.408	6	108.0598	19.430	6	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.7970	0.000	1	108.1585	13.923	2	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|H<1>}	105.5200	0.000	1	108.1585	13.923	2	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	110.8950	0.229	2	110.1587	1.653	3	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	108.6860	0.000	1	110.1587	1.653	3	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	110.4735	0.687	4	110.8410	0.434	8	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	111.2085	0.424	4	110.8410	0.434	8	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	110.6590	0.000	1	110.6590	0.000	1	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	108.3570	0.000	1	108.3570	0.000	1	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	110.9750	0.071	3	110.9750	0.005	3	109.9004	5.419	31	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:S-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H)	H(C[5]C[5]O[5]S)	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>}	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(C[5]C[5]O){1|C<2>,1|H<1>}	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	110.0735	4.177	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	3:4:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H){1|H<1>,5|C<3>}	108.4305	0.151	2	108.4305	0.023	2	108.4305	0.023	2	108.9685	0.397	4	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	3:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	108.9685	0.397	4	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	3:4:	C[5]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(NHS)(H)	H(C[5]C[5]O[5]N)	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>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|H<1>,3|C<3>}	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	108.9685	0.397	4	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NCC)(H)	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NCC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	108.5910	0.000	1	108.5910	0.000	1	108.6656	3.038	36	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[5a]H)(H)	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	109.6940	0.000	1	109.6940	0.000	1	108.6656	3.038	36	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]2)(H)	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]2)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	102.2630	0.000	1	102.2630	0.000	1	108.6656	3.038	36	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]H)(H)	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]H)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	108.8261	1.430	32	108.8261	2.044	32	108.6656	3.038	36	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NHS)(H)	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NHS)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]N)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	108.9810	0.000	1	108.9810	0.000	1	108.6656	3.038	36	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>}	109.1998	0.508	5	109.1998	0.258	5	109.0695	0.308	6	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>}	108.4180	0.000	1	108.4180	0.000	1	109.0695	0.308	6	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:3:1:	4:	4:3:	C[5]-3:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H)	H(C[5]C[5]O[5]N)	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>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HN)(C[5]C[5]O){2|C<3>}	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	108.7279	2.530	44	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	108.7740	0.000	1	108.7740	0.000	1	109.0850	0.193	2	109.0850	0.193	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	109.3960	0.000	1	109.3960	0.000	1	109.0850	0.193	2	109.0850	0.193	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(B[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(B[5]C[5,6a]O){2|C<3>}	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.9710	0.000	1	109.8058	1.136	13	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.7920	1.112	12	109.8058	1.136	13	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.7850	0.723	6	109.7850	0.523	6	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	110.4995	0.107	2	110.4995	0.011	2	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C){1|C<3>,1|N<2>}	110.1290	0.000	1	110.1290	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	109.6820	0.000	1	109.6820	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.5380	0.000	1	109.5380	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	109.6050	0.000	1	109.6050	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.5410	0.000	1	109.5410	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	110.2400	0.000	1	110.2400	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	109.7690	0.127	2	109.7690	0.016	2	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	105.3560	0.000	1	105.3560	0.000	1	109.6938	1.281	30	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.8070	0.000	1	109.8070	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>}	110.0430	0.000	1	109.7727	0.180	3	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.6375	0.500	2	109.7727	0.180	3	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.8660	1.765	2	108.8955	0.663	6	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.9102	0.258	4	108.8955	0.663	6	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.0825	0.658	2	109.0825	0.433	2	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.0130	0.000	1	109.0130	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.4209	0.719	7	109.4368	0.445	8	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.5480	0.000	1	109.4368	0.445	8	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.1010	0.000	1	108.9460	0.422	4	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.2277	0.396	3	108.9460	0.422	4	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.4140	0.000	1	109.1893	1.068	7	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.5486	0.638	5	109.1893	1.068	7	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	107.1680	0.000	1	109.1893	1.068	7	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.5610	0.245	2	108.5610	0.060	2	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|H<1>}	108.8862	0.500	5	109.1227	0.535	6	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.3050	0.000	1	109.1227	0.535	6	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.9280	0.000	1	109.9280	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	108.9260	0.439	3	108.9260	0.193	3	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.4875	2.411	2	108.4875	5.811	2	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.8870	0.000	1	109.8870	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	110.3030	0.000	1	110.3030	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>}	109.8620	0.188	2	109.8620	0.035	2	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>}	110.0670	0.000	1	108.9536	1.208	19	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<2>,1|O<1>}	110.6260	0.000	1	108.9536	1.208	19	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<4>,1|O<1>}	109.1300	0.899	2	108.9536	1.208	19	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|O<2>}	108.7444	1.075	15	108.9536	1.208	19	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>}	109.4090	0.000	1	109.4090	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<4>}	106.6520	0.000	1	106.6520	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|O<1>}	111.4110	0.000	1	111.4110	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|O<1>}	107.9660	0.035	2	107.9660	0.001	2	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	110.3460	0.000	1	110.3460	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	110.8930	0.000	1	110.8930	0.000	1	109.1512	0.975	76	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H)	H(C[5]C[5]O[5]S)	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>}	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(C[5]C[5]O){2|Br<1>}	110.9730	0.000	1	110.9730	0.000	1	111.2452	0.213	4	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H)	H(C[5]C[5]O[5]S)	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>}	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(C[5]C[5]O){2|Cl<1>}	111.3360	0.519	3	111.3360	0.269	3	111.2452	0.213	4	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O){3|C<4>}	108.8300	0.000	1	108.8300	0.000	1	109.5215	0.956	2	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H){1|H<1>,2|C<4>,2|O<1>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|H<1>}	110.2130	0.000	1	110.2130	0.000	1	109.5215	0.956	2	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	N[5,5a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	H(C[5]N[5,5a]O[5]C)	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,5a]O[5]C)	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O){2|C<3>}	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.5330	0.237	3	109.5330	0.056	3	109.7317	0.072	6	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.9440	0.000	1	109.9440	0.000	1	109.7317	0.072	6	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:2:4:1:	4:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>}	109.9235	0.095	2	109.9235	0.009	2	109.7317	0.072	6	109.4162	1.153	120	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	3:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	109.6730	0.000	1	109.7140	0.003	2	109.7140	0.003	2	109.7140	0.003	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	3:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	109.7550	0.000	1	109.7140	0.003	2	109.7140	0.003	2	109.7140	0.003	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:2:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5]){1|C<4>,3|C<3>}	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5a]O[5])	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	H(C[5]C[5,6a]C[5a]O[5])	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O){4|C<3>}	106.6450	0.000	1	106.2445	0.321	2	107.2070	2.940	3	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5a]O[5])	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5a]O[5])	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O){4|C<3>}	105.8440	0.000	1	106.2445	0.321	2	107.2070	2.940	3	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H)	H(C[5]C[5,6a]C[5a]O[5])	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]O[5])	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O){1|N<2>,3|C<3>}	109.1320	0.000	1	109.1320	0.000	1	107.2070	2.940	3	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]O){4|C<3>}	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	107.7590	0.000	1	107.7590	0.000	1	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	107.5050	0.000	1	107.5050	0.000	1	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	108.1665	0.022	2	108.1665	0.000	2	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	109.5500	0.000	1	108.5674	2.040	8	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	108.3320	0.000	1	108.5674	2.040	8	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	105.7030	0.000	1	108.5674	2.040	8	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	108.9908	1.020	5	108.5674	2.040	8	108.3447	1.436	12	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5,6a]N[5]O[5])	O[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]O[5])	O[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]O){1|C<4>,3|C<3>}	110.3045	0.332	2	110.3045	0.110	2	110.3045	0.110	2	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	H(C[5]C[5,6a]N[5a]O[5])	O[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]N[5a]O[5])	O[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]O){4|C<3>}	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5,6a]N[6]O[5])	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6a]N[6]O[5])	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|C<3>,2|C<4>}	108.6900	0.103	4	108.6900	0.011	4	108.6900	0.011	4	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H)	H(C[5]C[5,6a]N[6a]O[5])	O[5](C[5]C[5,6a]N[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H){1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,6a]N[6a]O[5])	O[5](C[5]C[5,6a]N[6a]H)(C[5]C[5,6a]O){1|N<2>,3|C<3>}	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	101.9060	0.000	1	105.5715	26.872	2	105.5715	26.872	2	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,3|C<3>}	109.2370	0.000	1	105.5715	26.872	2	105.5715	26.872	2	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[5a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	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>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	101.6290	0.000	1	105.0670	23.640	2	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>}	108.5050	0.000	1	105.0670	23.640	2	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	108.4947	4.707	6	108.4947	22.160	6	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,3|C<3>}	108.5670	0.000	1	109.3450	0.918	3	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	109.0530	0.000	1	109.3450	0.918	3	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>}	110.4150	0.000	1	109.3450	0.918	3	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){6|C<3>}	108.8590	0.000	1	108.8590	0.000	1	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	109.5130	0.000	1	109.5130	0.000	1	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|I<1>,2|C<3>}	109.5480	0.000	1	109.5480	0.000	1	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N){1|H<1>,1|S<4>,3|C<3>}	90.5977	0.455	2	90.5977	0.207	2	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	108.6810	0.632	2	108.6810	0.400	2	106.4230	42.838	18	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	109.7860	0.000	1	109.8090	0.001	2	110.2890	0.159	7	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O){2|C<4>,3|C<3>}	109.8320	0.000	1	109.8090	0.001	2	110.2890	0.159	7	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){1|N<2>,4|C<3>}	110.2000	0.000	1	110.4810	0.077	5	110.2890	0.159	7	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	110.1590	0.000	1	110.4810	0.077	5	110.2890	0.159	7	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	110.6820	0.037	3	110.4810	0.077	5	110.2890	0.159	7	107.9160	17.475	52	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	3:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H){2|H<1>,5|C<3>}	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	109.1385	0.004	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	3:4:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H)	H(C[5]C[6a]O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]H)	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	H(C[5]C[6a]O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.1385	0.004	2	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(N[5]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	108.8479	0.341	8	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	109.2140	0.000	1	109.2140	0.000	1	108.9190	0.351	7	108.8479	0.341	8	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	109.7160	0.000	1	108.8698	0.401	6	108.9190	0.351	7	108.8479	0.341	8	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	108.7006	0.535	5	108.8698	0.401	6	108.9190	0.351	7	108.8479	0.341	8	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5,6]C[3]O[5])	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>}	H(C[5]C[5,6]C[3]O[5])	O[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O){2|C<3>,3|C<4>}	108.0837	0.154	4	108.0837	0.024	4	108.0837	0.024	4	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5,6]C[5]O[5])	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>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O){1|C<3>,4|C<4>}	109.0970	0.000	2	109.0970	0.000	2	109.0970	0.000	2	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5,6]C[6]O[5])	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>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O){1|H<1>,4|C<4>}	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5]O[5])	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]O[5])	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O){1|Fe<10>,2|C<3>,2|C<4>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|F<1>,3|C<3>}	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Au<2>,1|C<4>}	109.2630	0.000	1	109.2630	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>}	109.7570	0.000	1	109.7570	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<2>,1|C<4>}	106.0800	0.000	1	106.0800	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.1890	0.000	1	109.1890	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.8250	0.000	1	109.8250	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.6080	0.000	1	109.4410	0.276	8	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.4737	0.740	4	109.4410	0.276	8	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|S<2>}	109.3417	0.336	3	109.4410	0.276	8	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	101.6450	0.000	1	101.6450	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.7759	1.011	8	109.7759	1.022	8	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.4585	1.486	2	108.4585	2.207	2	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.9700	0.000	1	108.9700	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|N<3>}	109.5475	0.363	2	109.5475	0.132	2	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|N<3>}	109.5050	0.000	1	109.5050	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	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)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>}	109.8480	0.000	1	109.8480	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>}	108.7070	0.000	1	108.7070	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	110.8800	0.000	1	110.8800	0.000	1	109.1425	2.898	31	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	108.0470	0.166	5	108.0470	0.028	5	108.0470	0.028	5	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	109.7660	0.000	1	109.7660	0.000	1	108.9895	0.273	4	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	108.8230	0.000	1	108.8230	0.000	1	108.9895	0.273	4	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]O){1|S<2>,2|H<1>,3|C<3>}	108.6845	0.050	2	108.6845	0.003	2	108.9895	0.273	4	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]O)	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>}	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5]){2|C<3>,2|H<1>,2|O<2>}	109.2155	0.206	4	109.2155	0.043	4	109.2155	0.043	4	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	105.6990	0.000	1	105.6990	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	108.4270	0.000	1	108.4270	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,4|C<3>}	109.7530	0.000	1	109.7530	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.2507	0.388	3	108.9222	0.228	10	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	108.4065	0.688	2	108.9222	0.228	10	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.0745	0.237	2	108.9222	0.228	10	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	108.7435	0.496	2	108.9222	0.228	10	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.0210	0.000	1	108.9222	0.228	10	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]H){2|C<3>,3|H<1>}	109.6390	0.000	1	109.6390	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	108.7687	0.213	4	108.9363	0.138	9	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|F<1>,1|S<2>,2|C<3>,2|H<1>}	109.8250	0.000	1	108.9363	0.138	9	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	108.7670	0.000	1	108.9363	0.138	9	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	108.7660	0.000	1	108.9363	0.138	9	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.0420	0.000	1	108.9363	0.138	9	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|H<1>,3|C<3>}	108.9520	0.000	1	108.9363	0.138	9	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|S<2>,2|H<1>,4|C<3>}	108.7950	0.000	1	108.7955	0.000	2	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	108.7960	0.000	1	108.7955	0.000	2	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	109.7610	0.000	1	109.7610	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.0020	0.000	1	109.0020	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.0705	0.107	2	108.9401	0.195	8	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	108.6625	0.443	4	108.9401	0.195	8	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	109.3650	0.250	2	108.9401	0.195	8	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	109.2570	0.000	1	109.2570	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	109.1270	0.000	1	108.8220	0.186	2	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|S<2>,2|H<1>,3|C<3>}	108.5170	0.000	1	108.8220	0.186	2	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CC)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>}	108.8660	0.000	1	108.8660	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	108.2090	0.000	1	108.2090	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	109.5450	0.000	1	109.4720	0.011	2	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	109.3990	0.000	1	109.4720	0.011	2	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	108.8350	0.218	2	108.6210	0.100	15	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	108.5881	0.323	13	108.6210	0.100	15	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,2|C<3>}	103.4140	0.000	1	107.2858	5.805	5	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	108.7525	0.480	2	107.2858	5.805	5	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){2|H<1>,3|C<3>}	106.4790	0.000	1	107.2858	5.805	5	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|H<1>,4|C<3>}	109.0310	0.000	1	107.2858	5.805	5	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	109.3930	0.000	1	109.3930	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	109.9580	0.000	1	109.9580	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|H<1>,1|S<4>,2|C<3>}	110.0520	0.000	1	110.0520	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	109.4630	0.000	1	109.4630	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|H<1>}	109.6030	0.000	1	109.6030	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	108.7510	0.000	1	108.7510	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]H){1|C<4>,1|N<2>,2|C<3>}	107.5490	0.000	1	107.5490	0.000	1	108.7605	0.902	69	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](C[5]C[6a]P[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[6a]O[5]P[5])	O[5](C[5]C[6a]P[5]H)(C[5]C[6a]N[5]){1|C<4>,1|W<6>,4|C<3>}	109.3870	0.000	1	109.3870	0.000	1	108.6875	0.979	2	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](C[5]C[6a]P[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]O[5]P[5])	O[5](C[5]C[6a]P[5]H)(C[5]N[5]C){1|C<4>,1|W<6>,2|C<3>}	107.9880	0.000	1	107.9880	0.000	1	108.6875	0.979	2	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.8487	1.299	126	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5,5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	110.3868	0.148	4	110.3868	0.022	4	110.3868	0.022	4	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	110.0713	0.115	3	110.0713	0.013	3	110.1328	0.014	5	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2{5|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH){1|H<1>,1|N<2>,3|C<3>}	110.2250	0.040	2	110.2250	0.002	2	110.1328	0.014	5	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH){1|H<1>,3|C<4>}	110.4280	0.094	4	110.3688	0.014	6	110.4386	0.027	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH){1|H<1>,3|C<4>}	110.2505	0.022	2	110.3688	0.014	6	110.4386	0.027	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH){1|O<2>,3|C<4>}	110.6480	0.006	2	110.6480	0.000	2	110.4386	0.027	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5,6]HH)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5,6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	110.1410	0.252	4	110.0801	0.033	8	110.0801	0.033	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5,6]HH)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5,6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	110.0192	0.064	4	110.0801	0.033	8	110.0801	0.033	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH){1|C<3>,1|O<1>,3|C<4>}	110.5120	0.020	2	110.7740	0.096	8	110.7943	0.076	10	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH){1|C<3>,2|H<1>,3|C<4>}	111.0600	0.061	4	110.7740	0.096	8	110.7943	0.076	10	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH){2|H<1>,4|C<4>}	110.4640	0.025	2	110.7740	0.096	8	110.7943	0.076	10	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]N[5,6,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]N[5,6,6]C[6])(C[5]C[5,6]HH){3|C<4>,3|H<1>}	110.8755	0.005	2	110.8755	0.000	2	110.7943	0.076	10	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	110.8040	0.079	6	109.6215	2.504	10	109.9369	1.463	18	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8478	0.714	4	109.6215	2.504	10	109.9369	1.463	18	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	110.3377	0.037	4	110.3377	0.001	4	109.9369	1.463	18	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,2|C<3>,2|C<4>}	110.4810	0.007	2	110.4810	0.000	2	109.9369	1.463	18	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]HH){1|C<4>,1|N<2>,3|C<3>}	110.1685	0.021	2	110.1685	0.000	2	109.9369	1.463	18	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	110.7945	0.175	4	110.6795	0.066	10	110.6853	0.046	14	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	110.7200	0.023	2	110.6795	0.066	10	110.6853	0.046	14	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	110.2400	0.013	2	110.6795	0.066	10	110.6853	0.046	14	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	110.8485	0.059	2	110.6795	0.066	10	110.6853	0.046	14	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH){1|O<2>,3|C<4>}	110.7195	0.011	2	110.7195	0.000	2	110.6853	0.046	14	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	110.6800	0.023	2	110.6800	0.001	2	110.6853	0.046	14	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H)	H(C[5]C[5]O[5]Cl)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H){1|O<2>,4|C<3>}	H(C[5]C[5]O[5]Cl)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH){1|C<4>,2|C<3>,2|H<1>}	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2{2|C<4>,5|C<3>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]C[5,5]C[5])(C[5]C[5]HH){2|C<4>,5|C<3>}	110.0455	0.009	2	110.0455	0.000	2	110.0455	0.000	2	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2{1|B<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]O[5])(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	110.6919	0.058	8	110.6919	0.003	8	110.7233	0.010	55	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>}	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>}	110.8155	0.046	4	110.7812	0.004	6	110.7233	0.010	55	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<4>}	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]O[5])(C[5]C[5]HH){1|C<3>,2|H<1>,2|O<2>}	110.7125	0.019	2	110.7812	0.004	6	110.7233	0.010	55	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]O[5])(C[5]C[5]HH){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	110.7769	0.133	11	110.7124	0.015	29	110.7233	0.010	55	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]O[5])(C[5]C[5]HH){1|Fe<10>,2|C<4>,2|H<1>}	110.6729	0.097	18	110.7124	0.015	29	110.7233	0.010	55	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	110.7416	0.060	12	110.7416	0.004	12	110.7233	0.010	55	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	110.4457	0.199	52	110.4457	0.040	52	110.2407	0.979	83	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH){1|Se<2>,2|C<3>,2|C<4>}	110.3855	0.021	2	110.3855	0.000	2	110.2407	0.979	83	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5,5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.5718	1.804	21	109.5718	3.255	21	110.2407	0.979	83	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	110.8040	0.025	2	110.8040	0.001	2	110.2407	0.979	83	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH){1|Se<2>,2|C<3>,2|H<1>}	110.5690	0.228	6	110.5690	0.052	6	110.2407	0.979	83	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6a]-3:C[5]-4:	C[5](C[5]N[5,6,6a]CC)(O[5]C[5,6,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6,6a]B[6,6,6a]N[5,6,6a])(C[5]C[5]HH)	C[5](C[5]N[5,6,6a]CC)(O[5]C[5,6,6a])(H)2{2|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6a]B[6,6,6a]N[5,6,6a])(C[5]C[5]HH){1|B<4>,2|C<3>,3|C<4>}	110.5487	0.087	12	110.5487	0.008	12	110.5487	0.008	12	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.0385	0.004	2	110.0385	0.000	2	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.2235	0.106	6	110.2235	0.011	6	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2210	0.010	2	110.2210	0.000	2	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	110.2850	0.000	1	110.4396	0.051	8	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.3075	0.093	2	110.4396	0.051	8	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.2720	0.004	2	110.4396	0.051	8	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){2|H<1>,4|C<3>}	110.6910	0.150	3	110.4396	0.051	8	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,2|N<3>}	110.8435	0.062	2	110.8435	0.004	2	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH){1|B<4>,2|C<3>,2|C<4>}	110.9477	0.051	4	110.9477	0.003	4	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	106.3240	2.511	4	106.3240	6.306	4	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<2>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	110.7602	0.152	19	110.7626	0.021	27	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	110.7681	0.140	8	110.7626	0.021	27	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|H<1>}	110.4775	0.009	2	110.4775	0.000	2	110.3104	1.635	57	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.1524	0.185	16	110.1592	0.033	17	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>}	110.2690	0.000	1	110.1592	0.033	17	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.1725	0.079	6	110.1334	0.022	18	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.1138	0.172	12	110.1334	0.022	18	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,2|H<1>}	110.3245	0.277	12	110.1414	0.066	53	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.1093	0.034	4	110.1414	0.066	53	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	110.2327	0.061	6	110.1414	0.066	53	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	110.0783	0.260	23	110.1414	0.066	53	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	109.9958	0.220	8	110.1414	0.066	53	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	108.6231	1.978	10	108.6231	3.912	10	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	110.0905	0.102	6	110.0905	0.010	6	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	110.1555	0.012	2	110.1555	0.000	2	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6a]N[5,6a]B[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6a]CC)(O[5]C[5,6a])(H)2{2|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6a]N[5,6a]B[6a])(C[5]C[5]HH){1|B<4>,2|C<3>,3|C<4>}	110.9653	0.169	6	110.9653	0.029	6	110.0489	0.594	112	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3,5]O)(C[5]C[5]HH)	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3,5]O)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.5325	0.050	4	110.5325	0.002	4	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[4,5]O)(C[5]C[5]HH)	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[4,5]O)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.8725	0.009	2	110.8725	0.000	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5]HH)	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5,6]O)(C[5]C[5]HH){1|H<1>,3|C<4>}	110.4930	0.014	2	110.4930	0.000	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>}	110.6070	0.044	3	110.6544	0.006	7	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>}	110.6900	0.084	4	110.6544	0.006	7	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>}	110.6765	0.005	2	109.0980	3.497	4	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>}	107.5195	0.725	2	109.0980	3.497	4	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	110.7570	0.153	7	110.5242	0.954	33	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<3>,1|N<3>,2|H<1>}	110.2810	0.024	2	110.5242	0.954	33	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>}	110.2762	1.476	14	110.5242	0.954	33	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>}	110.9055	0.026	2	110.5242	0.954	33	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.7201	0.121	8	110.5242	0.954	33	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]O)(C[5]C[5]HH){1|Si<4>,1|H<1>,2|C<4>}	110.5935	0.076	10	110.5935	0.006	10	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]O)(C[5]C[5]HH)	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]O)(C[5]C[5]HH){1|O<2>,3|C<4>}	110.8050	0.006	2	110.8050	0.000	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]O)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>}	110.8290	0.008	2	110.8290	0.000	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.2565	0.030	2	110.2520	0.001	3	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.2430	0.000	1	110.2520	0.001	3	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|I<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|I<1>,2|C<3>,2|H<1>}	110.3745	0.028	2	110.3559	0.015	8	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	110.3497	0.146	6	110.3559	0.015	8	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	110.4780	0.035	4	110.4780	0.001	4	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]N[5])(C[5]C[5]HH){1|C<3>,4|C<4>}	110.9135	0.004	2	110.9135	0.000	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,3|C<3>}	111.1520	0.000	1	111.1520	0.000	1	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|H<1>,3|C<4>}	111.4445	0.005	2	111.4445	0.000	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	99.1998	9.849	2	108.9965	33.247	11	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	110.9187	0.117	3	108.9965	33.247	11	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Ru<9>,1|C<3>,1|H<1>,2|C<4>}	111.3010	0.331	6	108.9965	33.247	11	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.0750	0.000	1	110.7887	0.045	93	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<2>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>}	110.6850	0.061	4	110.7887	0.045	93	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	110.5592	0.163	4	110.7887	0.045	93	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<6>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	110.8109	0.220	74	110.7887	0.045	93	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	110.7290	0.104	10	110.7887	0.045	93	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Co<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<4>,1|H<1>,3|C<3>}	111.0795	0.200	4	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<4>,1|H<1>,3|C<3>}	111.0565	0.035	2	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<4>,1|H<1>,3|C<3>}	110.8635	0.064	4	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<5>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,1|H<1>,3|C<3>}	110.8305	0.130	4	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,3|C<3>}	110.9376	0.141	7	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,3|C<3>}	110.7361	0.211	11	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pt<4>,1|H<1>,3|C<3>}	110.3600	0.092	2	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Rh<6>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Rh<6>,1|H<1>,3|C<3>}	110.9190	0.027	2	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	110.7865	0.290	22	110.8229	0.062	58	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ag<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Ag<4>,4|C<4>}	110.9985	0.026	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	110.8720	0.018	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|C<3>,1|H<1>,3|C<4>}	110.8695	0.012	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.7890	0.031	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){2|C<3>,3|C<4>}	110.7865	0.009	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Cu<4>,4|C<4>}	110.6987	0.110	6	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<5>,4|C<4>}	112.3320	1.737	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Ru<5>,4|C<4>}	111.0060	0.011	2	110.9749	0.390	20	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){2|C<3>,3|C<4>}	110.9875	0.018	2	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	110.7194	0.195	23	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<5>,1|C<3>,1|N<3>,2|C<4>}	110.6586	0.155	8	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|N<3>,2|C<4>}	110.7223	0.194	63	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Li<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Li<4>,1|C<3>,3|C<4>}	110.9685	0.019	2	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mn<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cr<9>,1|Mn<6>,1|C<5>,3|C<4>}	110.1885	0.030	4	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mn<7>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cr<9>,1|Mn<7>,4|C<4>}	110.5320	0.038	2	110.7024	0.047	104	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|V<5>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|V<5>,2|C<3>,2|C<4>}	110.9428	0.061	4	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>}	110.8123	0.065	4	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	110.4529	1.612	38	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<5>,2|C<3>,2|C<4>}	110.6600	0.066	4	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<6>,2|C<3>,2|C<4>}	110.5345	0.018	2	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<7>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<7>,2|C<3>,2|C<4>}	110.6697	0.027	3	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,2|C<3>,2|C<4>}	110.4395	0.028	2	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<6>,2|C<3>,2|C<4>}	110.5926	0.092	18	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,2|C<3>,2|C<4>}	110.5671	0.120	15	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<7>,2|C<3>,2|C<4>}	110.6710	0.337	22	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,2|C<3>,2|C<4>}	110.6930	0.054	2	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mg<4>,2|C<3>,2|C<4>}	110.6465	0.290	4	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mg<6>,2|C<3>,2|C<4>}	110.6059	0.152	19	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|C<4>}	110.3758	0.925	10	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<5>,2|C<3>,2|C<4>}	109.5341	1.980	8	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pt<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pt<4>,2|C<3>,2|C<4>}	110.7040	0.000	1	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|C<4>}	110.7829	0.200	10	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Rh<6>,2|C<3>,2|C<4>}	110.5558	0.152	4	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Sn<5>,2|C<3>,2|C<4>}	110.5516	0.279	9	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<3>,2|C<3>,2|C<4>}	110.5725	0.018	2	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,2|C<3>,2|C<4>}	110.7457	0.138	20	110.5575	0.740	201	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[4]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[4]N[5])(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<4>}	109.6850	1.226	2	110.4417	0.520	7	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[4]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[4]N[5])(C[5]C[5]HH){1|Co<9>,1|Pd<4>,1|H<1>,3|C<4>}	110.7444	0.051	5	110.4417	0.520	7	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	110.9032	0.049	4	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	111.0015	0.109	11	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Co<9>,1|H<1>,3|C<4>}	110.9373	0.157	8	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|H<1>,3|C<4>}	110.8180	0.645	31	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Co<4>,1|H<1>,3|C<4>}	110.8023	0.065	4	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	110.7033	0.060	3	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Co<9>,1|Pd<4>,1|H<1>,3|C<4>}	110.7913	0.184	13	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<4>,1|H<1>,3|C<4>}	110.8382	0.198	10	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<5>,1|H<1>,3|C<4>}	110.1769	1.559	17	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Co<9>,1|Pt<4>,1|H<1>,3|C<4>}	110.6075	0.052	2	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Ru<5>,1|H<1>,3|C<4>}	111.0325	0.021	2	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Ru<6>,1|H<1>,3|C<4>}	110.9400	0.153	4	110.7479	0.554	109	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<6>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,5|B<6>}	110.8883	0.048	6	110.8883	0.002	6	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ag<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ag<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8678	0.093	8	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.9246	0.135	8	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8602	0.078	6	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.7290	0.066	2	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8315	0.194	22	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.7626	1.886	12	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.9525	0.076	2	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ir<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.5125	0.153	2	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.6197	0.030	3	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<9>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8882	0.143	4	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Mn<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.6337	0.064	3	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.6366	0.165	7	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ni<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8745	0.037	2	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.7715	0.046	2	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.9044	0.104	8	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ru<9>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.2880	0.079	2	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.7968	0.070	4	110.6947	0.560	97	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Al<6>,1|C<4>,1|H<1>,2|C<3>}	111.0422	0.098	12	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.9087	0.103	10	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.7485	0.545	57	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	111.0575	0.029	2	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<4>,1|C<4>,1|H<1>,2|C<3>}	110.6920	0.226	8	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<6>,1|C<4>,1|H<1>,2|C<3>}	110.7147	0.273	4	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	110.7369	0.060	7	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	111.0058	0.303	12	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	110.6757	0.120	3	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<4>,1|C<4>,1|H<1>,2|C<3>}	110.8028	0.145	13	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	110.8729	0.283	10	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<4>,1|H<1>,2|C<3>}	110.7070	0.063	8	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<5>,1|C<4>,1|H<1>,2|C<3>}	110.0258	0.988	6	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	111.0934	0.256	11	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,1|H<1>,3|C<3>}	110.7602	0.561	4	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mg<7>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mg<7>,1|C<4>,1|H<1>,2|C<3>}	110.7810	0.299	7	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mn<5>,1|C<4>,1|H<1>,2|C<3>}	110.8215	0.088	4	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mn<5>,1|H<1>,3|C<3>}	110.8040	0.000	1	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mo<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mo<6>,1|C<4>,1|H<1>,2|C<3>}	111.0560	0.018	2	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|C<4>,1|H<1>,2|C<3>}	108.6333	7.914	20	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<5>,1|C<4>,1|H<1>,2|C<3>}	110.8098	0.160	4	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	110.7454	0.239	27	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<7>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Rh<7>,1|C<4>,1|H<1>,2|C<3>}	110.9935	0.015	2	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	110.9980	0.091	10	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Sn<5>,1|C<4>,1|H<1>,2|C<3>}	110.8700	0.057	2	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Te<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Te<5>,1|C<4>,1|H<1>,2|C<3>}	110.6505	0.032	2	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<3>,1|C<4>,1|H<1>,2|C<3>}	110.9038	0.069	4	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,1|C<4>,1|H<1>,2|C<3>}	110.8533	0.092	10	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	110.8204	0.105	16	110.6549	4.743	278	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x4,3x6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x4,3x6]N[5])(C[5]C[5]HH){2|H<1>,3|C<4>}	111.1725	0.033	2	111.1725	0.001	2	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Co<9>,2|C<4>,2|H<1>}	111.0365	0.040	2	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,2|C<4>,2|H<1>}	110.8583	0.143	6	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<6>,1|N<3>,1|O<2>,2|H<1>}	110.6819	0.101	11	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<4>,2|C<4>,2|H<1>}	110.7320	0.000	1	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|O<2>,3|H<1>}	110.8540	0.042	2	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<5>,2|C<4>,2|H<1>}	110.6623	0.144	4	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Pd<6>,2|C<4>,2|H<1>}	110.4440	0.023	2	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|Ru<9>,2|C<4>,2|H<1>}	111.1285	0.030	2	110.7653	0.037	30	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	110.8460	0.008	2	110.7663	0.019	47	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	110.8080	0.096	7	110.7663	0.019	47	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	110.7517	0.157	33	110.7663	0.019	47	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Mn<6>,1|C<3>,1|N<3>,2|H<1>}	110.8340	0.000	1	110.7663	0.019	47	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	110.7635	0.011	2	110.7663	0.019	47	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	110.7515	0.080	2	110.7663	0.019	47	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Al<6>,2|C<3>,2|H<1>}	110.7908	0.148	5	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	110.8785	0.033	2	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	109.4411	2.616	16	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	110.5708	1.388	51	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,2|C<3>,2|H<1>}	109.8312	2.671	14	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,2|C<3>,2|H<1>}	110.8730	0.089	2	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Os<9>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Os<9>,2|C<3>,2|H<1>}	110.7185	0.005	2	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|H<1>}	110.9139	0.127	16	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|H<1>}	110.8566	0.175	29	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<5>,2|C<3>,2|H<1>}	110.9700	0.006	2	110.4899	2.357	139	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	111.1374	0.052	7	111.1374	0.003	7	110.6449	1.823	1295	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	P[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]CO)(O[5]C[5,6a])(H)2	H(C[5]O[5]P[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)	C[5](P[5]C[5,6a]CO)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]O[5]P[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.7195	0.093	2	109.7195	0.009	2	109.6779	0.007	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	P[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]CuC)(O[5]C[5,6a])(H)2	H(C[5]O[5]P[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)	C[5](P[5]C[5,6a]CuC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]O[5]P[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	109.6640	0.084	6	109.6640	0.007	6	109.6779	0.007	8	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	Si[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]Si[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]Si[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.0640	0.008	2	110.0640	0.000	2	110.0640	0.000	2	110.5582	1.591	1694	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|H<1>,2|C<4>}	111.0390	0.035	2	110.9580	0.006	6	110.9580	0.006	6	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|H<1>,2|C<4>}	110.8745	0.036	2	110.9580	0.006	6	110.9580	0.006	6	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|H<1>,2|C<4>}	110.9605	0.025	2	110.9580	0.006	6	110.9580	0.006	6	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){3|C<4>}	110.8355	0.009	2	110.8355	0.000	2	110.6231	0.010	15	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){3|C<4>}	110.6213	0.054	4	110.6213	0.003	4	110.6231	0.010	15	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|H<1>,2|C<4>}	110.5830	0.023	3	110.5768	0.002	9	110.6231	0.010	15	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|H<1>,2|C<4>}	110.5737	0.061	6	110.5768	0.002	9	110.6231	0.010	15	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]){1|H<1>,2|C<4>}	110.5438	0.069	4	110.5438	0.005	4	110.5438	0.005	4	110.6908	0.032	25	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	B[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2	H(C[5]B[5]O[5]H)	O[5](C[5]B[5]HH)(C[5]O[5]O)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2{1|O<2>,4|C<3>}	H(C[5]B[5]O[5]H)	O[5](C[5]B[5]HH)(C[5]O[5]O){2|C<3>}	111.3435	0.019	2	111.3435	0.000	2	111.3435	0.000	2	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2	H(C[5]C[3,5,5]O[5]H)	O[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[3,5,5]O[5]H)	O[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O){1|C<4>,2|C<3>}	110.6727	0.030	3	110.6727	0.001	3	110.6727	0.001	3	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<2>,1|C<4>,1|H<1>}	110.4975	0.028	2	110.1706	1.310	22	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	110.7325	0.009	2	110.1706	1.310	22	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|N<3>}	110.4835	0.032	4	110.1706	1.310	22	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	108.5877	2.244	4	110.1706	1.310	22	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<4>,2|H<1>}	110.5256	0.067	8	110.1706	1.310	22	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	110.4020	0.004	2	110.1706	1.310	22	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]N[5]O)	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]N[5]O){3|C<4>}	110.6255	0.374	2	110.6255	0.140	2	110.2085	1.219	24	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6,6]O[5]H)	O[5](C[5]C[3x5,6,6]HH)(C[5]C[5,5,6,6]O)	C[5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]O[5,5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[5]C[3x5,6,6]O[5]H)	O[5](C[5]C[3x5,6,6]HH)(C[5]C[5,5,6,6]O){1|C<3>,1|O<2>,2|C<4>}	110.9100	0.025	2	110.9100	0.001	2	110.9100	0.001	2	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5]O)	C[5](C[3x5,6]C[5,5,6]2C[5,5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5]O){1|H<1>,1|N<3>,2|C<4>}	110.2740	0.000	1	110.2740	0.000	1	110.7767	0.190	3	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O){1|C<3>,1|O<2>,2|C<4>}	111.0280	0.008	2	111.0280	0.000	2	110.7767	0.190	3	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[3x5]O)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[3x5]O){1|C<3>,3|C<4>}	110.4220	0.034	2	110.4220	0.001	2	110.3807	0.023	7	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]O)	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]O){4|C<4>}	110.5520	0.013	2	110.5520	0.000	2	110.3807	0.023	7	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]O)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]O){2|C<3>,2|C<4>}	110.1925	0.025	2	110.2390	0.007	3	110.3807	0.023	7	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]O)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|C<3>}	110.3320	0.000	1	110.2390	0.007	3	110.3807	0.023	7	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	110.6200	0.000	1	110.6373	0.000	3	110.6373	0.000	3	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	110.6460	0.008	2	110.6373	0.000	3	110.6373	0.000	3	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2{1|O<1>,5|C<3>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O){3|C<3>}	99.3272	13.357	2	99.3272	178.410	2	99.3272	178.410	2	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,3x6]C[5,3x6]C[5,6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,5,3x6]O[5]H)	O[5](C[5]C[5,5,3x6]HH)(C[5]C[5,6,6]O)	C[5](C[5,5,3x6]C[5,3x6]C[5,6,6]2)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[5]C[5,5,3x6]O[5]H)	O[5](C[5]C[5,5,3x6]HH)(C[5]C[5,6,6]O){1|H<1>,3|C<4>}	110.7062	0.066	6	110.7062	0.004	6	110.7062	0.004	6	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,3x6]C[3,5]C[5,6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)	C[5](C[5,5,6]C[5,3x6]C[3,5]C[5,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O){1|C<3>,2|C<4>}	110.2352	0.015	4	110.2352	0.000	4	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	110.1390	0.054	4	110.1390	0.003	4	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O){1|C<3>,3|C<4>}	110.3340	0.004	2	110.3340	0.000	2	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O){4|C<4>}	110.1920	0.000	1	110.1920	0.000	1	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O){1|C<3>,3|C<4>}	110.4383	0.030	6	110.5660	0.030	10	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{2|C<3>,2|O<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O){2|C<3>,2|C<4>}	110.7575	0.088	4	110.5660	0.030	10	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]O)	C[5](C[5,5,6]C[5,5]C[5,6]2)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]O){1|C<3>,2|C<4>}	110.8080	0.000	1	110.8080	0.000	1	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]O){4|C<4>}	110.0883	0.060	4	110.0883	0.004	4	110.3530	0.060	26	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[3x5]O)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[3x5]O){1|N<3>,1|O<2>,2|C<4>}	108.0650	0.033	2	108.0650	0.001	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|O<2>}	110.2115	0.035	2	110.2115	0.001	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,5,6]C[5]N[5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	110.3655	0.049	2	110.3655	0.002	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	108.3338	2.585	4	109.0308	5.176	6	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	110.4250	0.017	2	109.0308	5.176	6	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]C){1|H<1>,1|O<2>,2|C<4>}	110.0395	0.008	2	110.0395	0.000	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	110.5858	0.228	4	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|H<1>}	110.8435	0.015	2	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>}	110.8890	0.000	1	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<3>,1|H<1>,2|C<4>}	110.3577	0.045	3	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<3>,1|H<1>,2|C<4>}	110.5720	0.034	2	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	110.4115	0.016	2	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|H<1>,1|O<2>,2|C<4>}	110.2875	0.309	6	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	110.2083	0.027	3	110.4482	0.073	23	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	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)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|O<2>,3|C<4>}	110.8475	0.023	2	110.5370	0.129	4	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	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)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|C<4>,2|O<2>}	110.2265	0.015	2	110.5370	0.129	4	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	110.7475	0.005	2	110.7475	0.000	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>}	110.6230	0.000	1	110.6230	0.000	1	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	108.3185	0.129	2	108.3185	0.017	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|C<3>,2|O<2>}	112.1315	0.042	2	110.8640	2.759	4	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|O<2>}	109.5965	1.360	2	110.8640	2.759	4	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	110.1910	0.018	2	109.9807	3.870	10	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){2|H<1>,2|O<2>}	109.4187	3.297	4	109.9807	3.870	10	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|O<2>}	110.4375	0.093	4	109.9807	3.870	10	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,2|C<3>}	110.8537	0.025	3	110.7862	0.009	5	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	110.6850	0.017	2	110.7862	0.009	5	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	109.5475	0.600	4	109.5475	0.360	4	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]S)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>}	110.7860	0.021	2	110.7860	0.000	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5]O){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	108.3935	0.911	2	108.3935	0.831	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|Br<1>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>}	110.7991	0.183	7	110.6783	0.039	17	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>}	110.2855	0.033	2	110.6783	0.039	17	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>}	110.6980	0.014	2	110.6783	0.039	17	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>}	110.6220	0.010	2	110.6783	0.039	17	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>}	110.6815	0.053	4	110.6783	0.039	17	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]C)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]C){1|H<1>,2|C<4>}	110.7065	0.029	2	110.7065	0.001	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]N)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]N){1|H<1>,2|C<4>}	110.8120	0.037	2	110.8120	0.001	2	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	110.6640	0.018	2	110.1577	0.677	6	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	109.0990	0.133	2	110.1577	0.677	6	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]O){1|C<3>,1|C<4>,1|H<1>}	110.7100	0.023	2	110.1577	0.677	6	110.2202	1.233	100	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|C<3>,2|C<4>}	110.8570	0.014	2	110.8570	0.000	2	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]N[5]O)	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	110.2537	0.061	3	110.2537	0.004	3	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]O){1|H<1>,1|O<1>,2|C<4>}	110.4305	0.056	2	110.4305	0.003	2	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	110.6126	0.108	12	110.6126	0.012	12	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|C<3>,2|C<4>}	110.8070	0.010	2	110.3259	2.393	15	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|O<2>,3|C<4>}	111.0007	0.018	3	110.3259	2.393	15	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|C<3>,2|C<4>}	109.6402	2.389	6	110.3259	2.393	15	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|C<4>,1|O<2>,2|C<3>}	110.5970	0.027	2	110.3259	2.393	15	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|C<4>,1|H<1>,2|C<3>}	110.6190	0.008	2	110.3259	2.393	15	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|O<2>,3|C<4>}	107.7305	3.057	4	108.3393	7.845	6	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>}	109.5570	2.598	2	108.3393	7.845	6	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O){1|C<3>,2|C<4>}	111.2335	0.040	2	111.2335	0.002	2	110.1924	2.416	42	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	110.6920	0.020	2	110.6920	0.000	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|H<1>,2|C<4>}	110.3912	0.040	4	109.5114	3.303	12	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,2|C<4>}	110.2765	0.006	2	109.5114	3.303	12	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	109.8995	1.599	2	109.5114	3.303	12	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|O<2>,3|C<4>}	108.0550	2.628	4	109.5114	3.303	12	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	110.4950	0.021	2	110.6748	0.044	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|O<2>,3|C<4>}	110.8545	0.032	2	110.6748	0.044	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.7175	0.009	2	110.0718	0.706	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	109.4260	0.670	2	110.0718	0.706	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O){1|O<1>,2|C<4>}	110.1090	0.006	2	110.1090	0.000	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,2|C<3>}	110.2687	0.032	6	110.2687	0.001	6	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.7910	0.035	2	110.0397	2.108	21	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.8780	0.028	2	110.0397	2.108	21	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	108.9209	1.917	8	110.0397	2.108	21	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.5740	0.087	5	110.0397	2.108	21	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	110.8715	0.135	2	110.0397	2.108	21	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	110.7580	0.047	2	110.0397	2.108	21	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|H<1>,2|C<4>}	110.6985	1.551	2	110.6750	0.178	16	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|H<1>,2|C<4>}	110.8370	0.023	4	110.6750	0.178	16	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	110.6055	0.108	10	110.6750	0.178	16	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	110.9865	0.919	2	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.6280	0.479	4	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	111.1705	0.029	2	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	110.9841	0.108	14	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|H<1>,1|O<2>,2|C<4>}	105.6460	0.372	4	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	110.0168	1.780	6	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.5291	1.273	17	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.7985	0.011	2	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.8103	0.028	3	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	110.7957	0.045	8	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<4>,1|H<1>,2|C<3>}	111.1198	0.302	8	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){2|C<4>,2|H<1>}	106.5190	1.601	2	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|Si<4>,1|C<4>,2|H<1>}	107.4465	1.182	2	110.2644	2.731	74	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	110.6460	0.051	2	110.6460	0.003	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O){3|C<3>}	110.2837	0.048	3	110.2837	0.002	3	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	110.1675	0.043	2	110.1675	0.002	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O){2|C<4>,2|H<1>}	109.8693	0.073	3	110.0240	0.048	5	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O){2|C<4>,2|H<1>}	110.2560	0.006	2	110.0240	0.048	5	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]O){2|C<4>,2|H<1>}	110.1925	0.060	2	110.1925	0.004	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.7900	0.013	2	110.7900	0.000	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.6065	0.005	2	110.6065	0.000	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.7310	0.028	4	110.7310	0.001	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]O){2|C<4>}	110.7830	0.021	2	110.7830	0.000	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]N)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]N){1|C<3>,1|H<1>,1|N<3>}	110.8290	0.007	2	110.7193	0.016	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]N)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]N){1|H<1>,2|C<4>}	110.6095	0.012	2	110.7193	0.016	4	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.8455	0.235	4	109.8283	3.878	18	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	110.1038	1.297	10	109.8283	3.878	18	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	110.8405	0.018	2	109.8283	3.878	18	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	105.4040	2.126	2	109.8283	3.878	18	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]O){1|C<3>,2|C<4>}	110.6740	0.023	2	110.6740	0.001	2	110.2272	1.957	189	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]C[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(B[5]C[5]N)	C[5](C[5]C[5]HH)(O[5]B[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(B[5]C[5]N){1|C<3>,2|H<1>}	111.6155	0.493	2	111.6155	0.243	2	110.9197	0.349	6	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(B[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(B[5]O[5]C){2|H<1>}	110.5717	0.127	4	110.5717	0.016	4	110.9197	0.349	6	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[3,3]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[3,3]C[5]N[5])(O[5]C[5])(H)2{1|C<2>,1|C<4>,1|H<1>,1|H<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>}	110.2370	2.290	2	110.2370	5.242	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|H<1>,3|C<4>}	110.5840	0.030	2	110.5840	0.001	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<2>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<2>,1|O<2>,2|C<4>}	110.4945	0.089	4	109.2761	6.374	25	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|C<4>}	110.3040	0.007	2	109.2761	6.374	25	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|H<1>,1|N<3>,2|C<4>}	110.5885	0.008	2	109.2761	6.374	25	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	108.5129	3.058	15	109.2761	6.374	25	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	110.2230	0.069	2	109.2761	6.374	25	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	110.6038	0.028	5	109.8664	2.541	45	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.8523	1.699	10	109.8664	2.541	45	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	110.6680	0.007	2	109.8664	2.541	45	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<4>,2|H<1>}	110.0130	1.201	24	109.8664	2.541	45	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|H<1>}	107.6992	3.127	4	109.8664	2.541	45	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>}	110.5034	0.142	5	110.5034	0.020	5	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,4|H<1>}	110.2905	0.008	2	110.2905	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){4|H<1>}	110.8125	0.021	2	110.5844	0.057	7	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){3|H<1>}	110.3875	0.006	2	110.5844	0.057	7	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	110.7260	0.006	2	110.5844	0.057	7	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){1|C<3>,2|H<1>}	110.2390	0.000	1	110.5844	0.057	7	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]H){4|H<1>}	110.3094	0.389	7	110.3094	0.151	7	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Ir)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Ir){4|H<1>}	110.6428	0.177	6	110.6428	0.031	6	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]N){1|C<3>,2|H<1>}	106.8660	0.034	2	106.8660	0.001	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|B<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|B<4>,3|H<1>}	106.1525	0.486	2	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	110.2919	0.321	12	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.5688	2.040	6	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|H<1>}	110.0112	0.659	22	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|H<1>}	108.3897	4.487	14	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|H<1>}	110.2065	0.005	2	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|S<2>,2|H<1>}	109.0525	0.261	2	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|H<1>}	109.3578	1.617	5	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|N<4>,3|H<1>}	110.7240	0.011	2	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|H<1>}	110.4875	0.118	6	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|S<2>,3|H<1>}	110.7275	0.009	2	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|H<1>}	110.7433	0.189	6	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	110.4707	0.107	4	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	110.8795	0.125	4	109.7969	4.353	89	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Re)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Re){4|H<1>}	110.7390	0.064	2	110.7390	0.004	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Ru)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Ru){4|H<1>}	110.9100	0.086	2	110.9930	0.012	4	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Ru)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<9>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Ru){4|H<1>}	111.0760	0.017	2	110.9930	0.012	4	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Si)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Si<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]Si){3|H<1>}	108.2989	1.426	20	108.2989	2.035	20	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<2>,2|H<1>}	106.0660	0.642	2	106.0660	0.412	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|H<1>,2|O<2>}	110.7895	0.009	2	110.3995	0.591	15	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>}	110.3769	0.219	7	110.3995	0.591	15	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	110.7930	0.048	2	110.3995	0.591	15	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	110.4500	0.008	2	110.3995	0.591	15	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|H<1>,2|O<2>}	109.6450	2.495	2	110.3995	0.591	15	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HP)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HP)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|P<4>,3|H<1>}	110.4680	0.042	2	110.4680	0.002	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|H<1>}	110.4930	0.017	2	110.4930	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.5465	1.711	8	109.6975	2.378	10	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	110.3015	0.095	2	109.6975	2.378	10	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){1|C<4>,1|H<1>}	111.1100	0.144	9	111.1100	0.021	9	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){1|H<1>,2|C<3>}	110.2075	0.011	2	110.2075	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|H<1>}	110.6770	0.000	1	110.6770	0.000	1	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	110.8465	0.006	2	110.8465	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	110.6860	0.087	6	110.6860	0.007	6	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){2|C<4>}	110.8225	0.013	2	110.9120	0.006	6	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){2|C<4>}	110.9567	0.046	4	110.9120	0.006	6	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.4725	0.006	2	110.5294	0.003	5	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.5673	0.038	3	110.5294	0.003	5	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]C){1|H<1>,2|C<3>}	110.4045	0.018	2	110.4045	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	110.8545	0.011	2	110.6395	0.073	11	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|H<1>}	110.7080	0.088	4	110.6395	0.073	11	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|C<3>,3|H<1>}	110.4988	0.352	5	110.6395	0.073	11	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>}	110.3855	0.015	2	110.3855	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|C<4>}	108.5122	1.530	5	108.5122	2.341	5	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){3|C<3>}	110.5515	0.025	2	110.5515	0.001	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|H<1>}	110.9285	0.468	4	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,1|C<3>,1|H<1>}	107.2024	1.754	8	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<5>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<5>,1|C<3>,1|H<1>}	110.7815	0.083	8	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<3>,1|H<1>}	109.9870	1.436	3	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<3>,1|H<1>}	110.4348	0.274	4	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<3>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<3>,1|C<3>,1|H<1>}	110.9460	0.073	3	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<3>,1|H<1>}	110.8970	0.106	12	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<3>,1|H<1>}	111.0430	0.081	4	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<3>,1|H<1>}	110.6911	0.147	19	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Rh<6>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<6>,1|C<3>,1|H<1>}	110.8400	0.152	4	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ru<6>,1|C<3>,1|H<1>}	110.8952	0.256	11	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<3>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Sn<3>,1|C<3>,1|H<1>}	110.8265	0.192	4	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<3>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<3>,1|C<3>,1|H<1>}	110.8840	0.077	8	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,1|C<3>,1|H<1>}	111.1325	0.054	2	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,1|C<3>,1|H<1>}	110.8688	0.165	55	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|H<1>}	110.1630	1.640	10	110.6003	1.005	159	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<2>,1|C<3>,1|H<1>}	110.3420	0.017	2	110.3811	1.223	108	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	110.2854	1.251	44	110.3811	1.223	108	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,1|S<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|S<3>}	110.5275	0.013	2	110.3811	1.223	108	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<3>}	110.4476	1.033	60	110.3811	1.223	108	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){1|H<1>,2|C<3>}	110.4980	0.011	2	110.4980	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|H<1>}	111.1810	0.000	1	111.1810	0.000	1	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]Se[5]N)	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]Se[5]N){1|C<3>,1|H<1>}	109.1095	0.009	2	109.1095	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|B<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){3|C<4>}	110.8089	0.132	14	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){2|C<4>}	110.7592	0.110	20	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Co<4>,2|C<4>}	110.7444	0.128	24	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<5>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Co<5>,2|C<4>}	110.9124	0.076	5	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Co<6>,2|C<4>}	110.7912	0.047	6	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ir<4>,2|C<4>}	110.8770	0.052	2	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<5>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ir<5>,2|C<4>}	110.7290	0.053	4	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<6>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ir<6>,2|C<4>}	110.9028	0.137	5	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Li<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Li<4>,2|C<4>}	110.8160	0.119	8	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mg<4>,2|C<4>}	110.8566	0.134	10	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<5>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mg<5>,2|C<4>}	110.9270	0.060	10	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<6>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mg<6>,2|C<4>}	110.8435	0.129	6	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ni<4>,2|C<4>}	110.7060	0.066	3	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Rh<4>,2|C<4>}	110.9285	0.095	10	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<6>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Rh<6>,2|C<4>}	110.9822	0.148	5	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<4>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Zn<4>,2|C<4>}	110.7370	0.093	65	110.7945	0.016	197	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|H<1>,2|C<4>}	110.6190	0.186	7	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|H<1>,2|C<4>}	110.6450	0.028	2	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	110.7676	0.130	30	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|C<4>}	110.8013	0.132	7	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<3>,2|C<4>}	110.6123	0.146	10	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,2|C<4>}	110.7480	0.137	4	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,2|C<4>}	110.7262	0.033	4	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<4>,2|C<4>}	110.8788	0.164	10	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<5>,2|C<4>}	110.7050	0.016	2	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,2|C<4>}	110.7230	0.091	12	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,2|C<4>}	110.8510	0.048	2	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<5>,2|C<4>}	110.7801	0.149	9	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|C<4>}	110.7246	0.145	17	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<7>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<7>,2|C<4>}	110.5233	0.173	6	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|C<4>}	110.7163	0.145	31	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<5>,2|C<4>}	110.7830	0.030	2	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<7>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<7>,2|C<4>}	111.0485	0.097	4	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<5>,2|C<4>}	110.7445	0.013	2	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ru<6>,2|C<4>}	110.6365	0.032	4	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<7>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ru<7>,2|C<4>}	110.4693	0.058	4	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ru<7>,2|C<4>}	110.5073	0.026	3	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ti<9>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ti<9>,2|C<4>}	111.0245	0.063	2	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,2|C<4>}	110.8415	0.076	4	110.7312	0.027	178	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>}	109.9784	1.457	10	110.1842	1.144	19	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){3|C<4>}	110.7775	0.013	2	110.1842	1.144	19	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	110.3680	0.214	5	110.1842	1.144	19	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>}	110.1600	0.030	2	110.1842	1.144	19	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<6>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mn<6>,1|C<4>,1|H<1>}	110.8870	0.166	6	110.8343	0.028	10	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Re<6>,1|B<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Re<6>,1|C<4>,1|H<1>}	110.7553	0.153	4	110.8343	0.028	10	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>}	107.4347	1.038	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>}	107.7616	3.374	11	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,1|C<4>,1|H<1>}	110.8405	0.101	30	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cr<4>,1|C<4>,1|H<1>}	110.8094	0.149	8	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,1|C<4>,1|H<1>}	110.8922	0.138	14	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<4>,1|H<1>}	110.8475	0.047	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<3>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<3>,1|C<4>,1|H<1>}	108.1663	1.498	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<4>,1|H<1>}	109.0642	1.934	33	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<4>,1|H<1>}	109.9733	2.007	46	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<5>,1|C<4>,1|H<1>}	110.8873	0.101	6	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<5>,1|C<4>,1|H<1>}	110.9348	0.119	5	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<4>,1|H<1>}	110.8741	0.057	8	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<5>,1|C<4>,1|H<1>}	110.6192	0.110	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<5>,1|C<4>,1|H<1>}	110.8860	0.072	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<4>,1|C<4>,1|H<1>}	110.9767	0.112	16	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<4>,1|C<4>,1|H<1>}	110.8051	0.180	8	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<6>,1|C<4>,1|H<1>}	110.8212	0.206	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<6>,1|C<4>,1|H<1>}	111.1445	0.005	2	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<3>,1|C<4>,1|H<1>}	110.7388	0.114	4	110.1249	2.967	215	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,1|C<4>,1|H<1>}	110.9215	0.008	2	110.8121	0.051	16	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|H<1>,2|C<4>}	110.5525	0.015	2	110.8121	0.051	16	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|Cu<4>,1|C<4>,1|H<1>}	110.8175	0.018	4	110.8121	0.051	16	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|Pd<4>,1|C<4>,1|H<1>}	110.7002	0.335	4	110.8121	0.051	16	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<6>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|Zn<6>,1|C<4>,1|H<1>}	110.9935	0.173	4	110.8121	0.051	16	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	110.1232	1.697	185	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	110.4650	0.182	7	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	110.2430	1.345	25	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.6180	0.050	5	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>}	110.3732	1.036	32	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>}	107.7180	4.658	2	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>}	110.4320	0.023	2	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	110.5008	0.264	21	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>}	110.5840	0.007	2	110.1962	2.313	281	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,1|C<4>,1|H<1>}	111.0238	0.019	4	110.8735	0.034	8	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){1|H<1>,2|C<4>}	110.6050	0.037	2	110.8735	0.034	8	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|H<1>}	110.8415	0.005	2	110.8735	0.034	8	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CO)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<2>,1|S<4>}	110.1660	0.027	2	110.1660	0.001	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){3|H<1>}	110.6718	0.232	6	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|P<4>,2|H<1>}	110.1565	0.009	2	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|H<1>}	110.8883	0.050	3	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|H<1>}	111.0152	0.048	4	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cd<5>,2|H<1>}	110.9805	0.023	2	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|H<1>}	110.8661	0.140	8	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<6>,2|H<1>}	110.9270	0.100	4	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,2|H<1>}	110.6713	0.092	4	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|H<1>}	110.9057	0.046	4	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|H<1>}	110.8598	0.080	4	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|H<1>}	110.8705	0.120	14	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pt<4>,2|H<1>}	110.8235	0.131	10	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Re<6>,2|H<1>}	110.9545	0.122	6	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,2|H<1>}	110.6670	0.063	4	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,2|H<1>}	111.0910	0.024	2	110.8365	0.036	77	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>}	110.8925	0.018	2	110.8925	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,2|H<1>}	109.8790	2.168	2	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>}	110.7410	0.040	2	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<4>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|Cu<4>,2|H<1>}	110.8410	0.083	2	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){3|H<1>}	110.6623	0.082	4	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){3|H<1>}	109.2647	2.275	42	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){2|H<1>}	110.6995	0.019	2	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]N){1|Zn<4>,2|H<1>}	106.7855	0.800	4	109.3660	4.648	58	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<2>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<2>,2|H<1>}	108.5297	1.446	3	110.2174	1.444	268	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.3772	1.003	170	110.2174	1.444	268	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.9777	1.406	86	110.2174	1.444	268	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<2>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){1|Cu<2>,2|H<1>}	110.9439	0.112	7	110.2174	1.444	268	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]O){3|H<1>}	106.9370	0.379	2	110.2174	1.444	268	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]Re)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]Re){1|C<3>,2|H<1>}	110.7345	0.009	2	110.7345	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,2|H<1>}	110.9243	0.074	4	110.9243	0.005	4	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5a]C[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]S)	C[5](C[5]N[5a]C[5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]S){1|C<4>,1|N<3>}	111.0125	0.012	2	111.0125	0.000	2	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){1|C<4>,1|H<1>}	110.7394	0.804	14	110.7394	0.646	14	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]O){2|H<1>}	110.6109	1.461	26	110.6109	2.135	26	110.3180	1.785	1953	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	P[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](P[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]O[5]P[5]H)	O[5](C[5]P[5]HH)(C[5]C[5]O)	C[5](P[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	H(C[5]O[5]P[5]H)	O[5](C[5]P[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>}	110.2235	0.016	2	110.2235	0.000	2	110.2235	0.000	2	110.2998	1.915	2370	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[4,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H)	H(C[5]C[4,5]O[5]O)	O[5](C[5]C[4,5,5]O)(C[5]C[4,5]HO)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[4,5]O[5]O)	O[5](C[5]C[4,5,5]O)(C[5]C[4,5]HO){1|H<1>,3|C<4>}	104.1050	0.000	1	104.1050	0.000	1	104.1050	0.000	1	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H)	H(C[5]C[5,5,6]O[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]HO)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]O[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]HO){1|H<1>,2|C<3>,2|C<4>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO){1|C<3>,1|O<1>,3|C<4>}	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	H(C[5]C[5]O[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.3510	0.000	1	106.3510	0.000	1	108.3050	7.636	2	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HO)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	H(C[5]C[5]O[5]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HO){1|H<1>,4|C<3>}	110.2590	0.000	1	110.2590	0.000	1	108.3050	7.636	2	108.8569	6.666	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5,6]O[5]O)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]O[5]O)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	111.5620	0.000	1	111.5620	0.000	1	106.6922	7.689	5	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5,5,6]O[5]O)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	H(C[5]C[5,5,6]O[5]O)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	105.6570	0.597	3	105.6570	0.356	3	106.6922	7.689	5	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5,5,6]O[5]O)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	H(C[5]C[5,5,6]O[5]O)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O){1|C<4>,1|P<4>,2|H<1>}	104.9280	0.000	1	104.9280	0.000	1	106.6922	7.689	5	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CC)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>}	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){2|C<4>,2|H<1>}	110.3180	0.000	1	110.3180	0.000	1	107.1707	7.399	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){1|H<1>,1|S<3>,2|C<4>}	107.1350	0.000	1	107.1350	0.000	1	107.1707	7.399	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){2|C<4>,2|H<1>}	105.7940	0.000	1	105.4038	2.115	4	107.1707	7.399	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	106.2300	0.000	1	105.4038	2.115	4	107.1707	7.399	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	104.7955	2.184	2	105.4038	2.115	4	107.1707	7.399	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5]O)	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HO)(C[5]C[5]O){2|C<4>,2|H<1>}	111.1270	0.000	1	111.1270	0.000	1	107.1707	7.399	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H){1|O<1>,5|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|H<1>,3|C<4>}	110.2530	0.000	1	110.2530	0.000	1	110.8037	0.313	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,6]O[5]O)	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]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.5300	0.384	3	110.5300	0.148	3	110.8037	0.313	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	111.3130	0.000	1	111.5045	0.073	2	110.8037	0.313	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	111.6960	0.000	1	111.5045	0.073	2	110.8037	0.313	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|N<3>}	110.7740	0.000	1	110.7740	0.000	1	110.8037	0.313	7	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(CC)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	108.1750	0.000	1	108.1750	0.000	1	109.5417	1.455	3	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]S)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){1|S<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]S){1|C<2>,1|H<1>}	110.2250	0.328	2	110.2250	0.108	2	109.5417	1.455	3	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,3|H<1>}	110.4220	0.000	1	110.4220	0.000	1	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	111.5535	0.295	2	111.6340	0.038	4	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>,2|H<1>}	111.7145	0.016	2	111.6340	0.038	4	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>,2|H<1>}	110.2890	0.489	4	110.2890	0.239	4	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|Se<2>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Se<2>,3|H<1>}	110.6980	0.035	2	110.6980	0.001	2	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>}	110.7775	0.366	2	110.8497	0.082	3	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|N<3>,3|H<1>}	110.9940	0.000	1	110.8497	0.082	3	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|S<2>,3|H<1>}	111.3300	0.000	1	111.3300	0.000	1	110.8926	0.368	15	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H)	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	107.8660	0.000	1	107.8660	0.000	1	107.8660	0.000	1	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:S[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H)	H(C[5]C[5]O[5]S[5])	O[5](C[5]C[5]S[5]H)(C[5]C[5]O)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5]O[5]S[5])	O[5](C[5]C[5]S[5]H)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>}	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.3517	5.611	40	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](B[5]B[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H){1|B<3>}	H(C[5]C[5]O[5]C)	O[5](B[5]B[5]O[5])(C[5]C[5]CH){1|C<3>,1|H<1>,2|O<2>}	110.1148	0.989	8	110.1148	0.979	8	110.1148	0.979	8	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	109.4783	0.677	4	109.4783	0.459	4	109.5214	0.353	5	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	109.6940	0.000	1	109.6940	0.000	1	109.5214	0.353	5	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	109.6750	0.000	1	109.6750	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<2>,2|C<3>,2|H<1>}	109.9400	0.000	1	109.6998	0.639	5	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	109.5277	1.080	3	109.6998	0.639	5	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	109.9760	0.000	1	109.6998	0.639	5	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	110.1710	0.000	1	110.1710	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	108.8270	0.000	1	108.8270	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	108.8282	0.489	4	108.8282	0.239	4	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){1|N<2>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	110.8890	0.000	1	110.8890	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	109.9740	1.360	5	109.9740	1.849	5	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	108.6925	0.224	2	108.5981	0.165	7	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.5604	0.478	5	108.5981	0.165	7	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.7210	0.000	1	108.7210	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	108.5520	0.000	1	108.5520	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	108.3350	0.000	1	108.3350	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	108.7163	0.576	3	108.7163	0.332	3	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	109.4490	0.000	1	109.9905	0.586	2	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	110.5320	0.000	1	109.9905	0.586	2	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	108.8580	0.000	1	108.8580	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	109.3500	0.000	1	109.3500	0.000	1	109.2393	0.819	35	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5]O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|O<2>}	110.0260	0.764	2	110.0260	0.583	2	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>}	105.9180	0.000	1	105.9180	0.000	1	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]C)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.5430	0.806	2	109.5430	0.650	2	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	110.1565	0.125	2	110.1565	0.016	2	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5])(C[5]C[5]CH){1|C<2>,1|H<1>,3|C<3>}	109.7556	0.281	5	109.7556	0.079	5	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|C<2>,1|H<1>,3|C<3>}	109.7520	0.365	2	109.7520	0.133	2	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	110.3030	0.407	2	110.3030	0.166	2	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	109.7310	0.332	2	109.7310	0.110	2	109.6511	1.039	18	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HN)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	110.6135	0.323	4	110.6135	0.104	4	110.6135	0.104	4	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H){2|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){2|H<1>,3|C<3>}	110.5070	0.000	1	110.5070	0.000	1	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H){1|N<3>,4|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	110.3765	0.063	2	110.3765	0.004	2	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H){4|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){2|H<1>,3|C<3>}	108.5940	0.000	1	108.5940	0.000	1	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	110.2920	0.090	4	110.2930	0.036	11	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){2|H<1>,3|C<3>}	110.2936	0.238	7	110.2930	0.036	11	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HN){1|H<1>,4|C<3>}	109.9850	0.000	1	109.9850	0.000	1	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HN){1|H<1>,4|C<3>}	110.0590	0.000	1	110.0590	0.000	1	110.1836	0.204	17	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(NCC)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[6a]C[5])(C[5]C[5]HN)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(NCC)(H){1|H<1>,3|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[6a]C[5])(C[5]C[5]HN){1|C<4>,1|H<1>,3|C<3>}	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H){1|H<1>,2|C<3>,4|C<4>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	109.6250	0.924	89	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	108.4890	0.000	1	108.4890	0.000	1	108.8105	0.572	4	108.8105	0.572	4	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	108.4610	0.571	2	108.4610	0.326	2	108.8105	0.572	4	108.8105	0.572	4	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	109.8310	0.000	1	109.8310	0.000	1	108.8105	0.572	4	108.8105	0.572	4	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	108.9810	0.381	6	108.9810	0.145	6	109.0626	0.175	11	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]C){3|C<3>}	109.4150	0.000	1	109.4150	0.000	1	109.0626	0.175	11	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]N){1|C<2>,2|C<3>}	109.5300	0.328	2	109.5300	0.108	2	109.0626	0.175	11	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]N){1|C<2>,2|C<3>}	108.6640	0.000	2	108.6640	0.000	2	109.0626	0.175	11	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	108.2720	0.000	1	108.2720	0.000	1	109.6074	0.351	9	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]C){1|C<3>,1|H<1>,2|C<4>}	109.6670	0.375	2	109.6670	0.140	2	109.6074	0.351	9	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	109.0940	0.000	1	109.0940	0.000	1	109.6074	0.351	9	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|H<1>,2|C<4>}	109.8770	0.000	1	109.8770	0.000	1	109.6074	0.351	9	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	109.9725	0.045	4	109.9725	0.002	4	109.6074	0.351	9	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){3|C<4>}	107.7650	0.000	1	107.7650	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	110.2852	0.350	5	108.9889	8.815	8	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	106.8283	4.405	3	108.9889	8.815	8	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	110.1860	0.000	1	110.1860	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	110.6440	0.000	1	110.6440	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	110.8590	0.000	1	110.3434	0.212	5	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>}	110.2145	0.414	4	110.3434	0.212	5	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	110.0190	0.000	1	110.0190	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>,2|H<1>}	110.3040	0.000	1	110.3040	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	108.8200	0.000	1	108.8200	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<4>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C){1|H<1>,2|C<3>}	110.7340	0.000	1	110.7340	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	110.8860	0.000	1	110.8860	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|C<4>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C){1|H<1>,2|C<3>}	109.0550	0.000	1	109.0550	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>,2|H<1>}	110.0833	1.390	3	110.0833	1.933	3	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.7750	0.000	1	109.7750	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.1660	0.055	2	109.1660	0.003	2	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.0320	0.238	2	109.0320	0.056	2	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.8220	1.633	2	109.8220	2.668	2	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	107.5930	0.000	1	107.5930	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	110.2260	1.301	2	109.7370	0.957	4	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>}	108.9150	0.000	1	109.7370	0.957	4	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>}	109.5810	0.000	1	109.7370	0.957	4	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	108.5440	0.000	1	108.5440	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	109.5870	0.000	1	109.5870	0.000	1	109.5557	2.413	40	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HN)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H){1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HN)(C[5]C[5]C){1|C<3>,1|H<1>,1|S<4>}	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.4665	1.685	61	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[3x5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H)	H(C[5]C[3x5,6]O[5]C)	O[5](C[5]C[5,5,6,6]O)(C[5]C[3x5,6]CH)	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H){1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[3x5,6]O[5]C)	O[5](C[5]C[5,5,6,6]O)(C[5]C[3x5,6]CH){1|O<2>,3|C<4>}	108.2540	0.188	4	108.2540	0.035	4	108.2540	0.035	4	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[3x5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	H(C[5]C[3x5]O[5]C)	O[5](C[5]C[3,3x5]O)(C[5]C[3x5]CH)	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[3x5]O[5]C)	O[5](C[5]C[3,3x5]O)(C[5]C[3x5]CH){2|C<3>,2|C<4>}	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H){1|C<3>,2|O<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH){1|C<4>,1|O<2>,2|C<3>}	107.6840	0.000	1	107.6840	0.000	1	107.6065	0.012	2	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH){1|C<4>,1|O<2>,2|C<3>}	107.5290	0.000	1	107.5290	0.000	1	107.6065	0.012	2	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH){1|C<4>,1|O<2>,2|C<3>}	106.5588	3.274	4	106.5588	10.720	4	107.8255	6.576	8	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){1|C<4>,3|C<3>}	109.3215	0.364	2	109.0922	0.345	4	107.8255	6.576	8	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){2|C<3>,2|C<4>}	108.2750	0.000	1	109.0922	0.345	4	107.8255	6.576	8	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){1|C<4>,3|C<3>}	109.4510	0.000	1	109.0922	0.345	4	107.8255	6.576	8	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH){1|H<1>,1|O<2>,2|C<4>}	108.3600	0.000	1	108.3600	0.000	1	108.4110	0.558	3	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH){1|H<1>,1|O<2>,2|C<4>}	107.6910	0.000	1	107.6910	0.000	1	108.4110	0.558	3	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH){1|C<4>,1|O<2>,2|C<3>}	109.1820	0.000	1	109.1820	0.000	1	108.4110	0.558	3	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:B-4:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	H(C[5]C[5]O[5]B)	O[5](B[5]C[6a]C[5])(C[5]C[5]BH)	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]O[5]B)	O[5](B[5]C[6a]C[5])(C[5]C[5]BH){1|P<4>,2|C<3>,3|H<1>}	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](B[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	H(C[5]C[5]O[5]C)	O[5](B[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,1|H<1>,3|C<4>}	108.4480	0.865	8	108.4480	0.748	8	108.5961	0.697	10	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](B[5]C[5a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](B[5]C[5a]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	109.1885	0.398	2	109.1885	0.158	2	108.5961	0.697	10	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5a]-3:C[5]-4:	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H){1|C<3>,1|N<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH){2|C<3>,2|H<1>}	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,3x6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,3x6]C[6])(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	108.5930	0.000	1	108.5930	0.000	1	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.8627	0.303	3	109.8627	0.092	3	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH){2|C<4>,3|C<3>}	107.7360	0.068	2	107.7360	0.005	2	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.5570	0.000	1	108.5570	0.000	1	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	108.9433	0.279	3	108.9433	0.078	3	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	108.7440	0.000	1	108.7440	0.000	1	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH){2|H<1>,3|C<3>}	109.4170	0.000	1	109.4170	0.000	1	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,1|C<4>,4|H<1>}	109.5340	0.000	1	109.5340	0.000	1	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,1|C<4>,4|H<1>}	108.4570	0.000	1	108.4570	0.000	1	108.9423	0.532	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,2|C<3>,2|C<4>}	108.0460	0.079	2	108.0460	0.006	2	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	108.8420	0.742	2	108.8420	0.551	2	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H){4|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	108.3710	0.000	1	108.3710	0.000	1	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	109.7190	0.000	1	109.7190	0.000	1	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	109.2160	0.000	1	108.2052	1.468	5	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	106.1490	0.000	1	108.2052	1.468	5	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.5537	0.361	3	108.2052	1.468	5	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	109.1415	0.814	2	109.1415	0.662	2	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.1370	0.000	1	108.1370	0.000	1	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	107.2210	0.000	1	108.6480	0.524	6	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	108.9485	0.238	4	108.6480	0.524	6	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.8730	0.000	1	108.6480	0.524	6	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	109.5410	0.000	1	109.5410	0.000	1	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,2|C<3>,2|O<2>}	107.4870	0.000	1	107.5735	0.015	2	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	107.6600	0.000	1	107.5735	0.015	2	108.5169	0.736	23	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	109.3580	0.000	1	108.9772	0.079	5	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH){1|H<1>,3|C<4>}	108.8820	0.212	4	108.9772	0.079	5	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH){1|H<1>,3|C<4>}	108.5630	0.000	1	108.5630	0.000	1	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,5]O)(C[5]C[5]CH){1|H<1>,3|C<4>}	110.2950	0.000	1	110.2950	0.000	1	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>}	108.5257	0.798	3	108.5257	0.637	3	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>}	108.5065	0.009	2	108.5065	0.000	2	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	109.9110	0.000	1	109.9110	0.000	1	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	110.3170	0.000	1	110.3170	0.000	1	109.0401	0.551	14	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](P[5]C[5,6]PdC)(O[5]C[5,6])(CCCO)(H)	H(C[5]O[5]P[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]P[5]CH)	C[5](P[5]C[5,6]PdC)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	H(C[5]O[5]P[5]C)	O[5](C[5,6]C[5,6]C[6])(C[5]P[5]CH){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]PdC)(O[5]C[5,6a])(CCCO)(H)	H(C[5]O[5]P[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)	C[5](P[5]C[5,6a]PdC)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]O[5]P[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	108.2680	0.000	1	108.2680	0.000	1	109.8043	1.897	3	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H)	H(C[5]O[5]P[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	H(C[5]O[5]P[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH){1|Rh<5>,1|C<4>,1|H<1>,2|C<3>}	110.5725	0.503	2	110.5725	0.253	2	109.8043	1.897	3	108.6088	1.330	86	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(N[5]C[5,5]){1|C<3>,1|C<4>,1|H<1>}	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>}	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	107.7810	0.049	2	107.7810	0.002	2	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	108.2220	0.000	1	108.2220	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	116.0555	0.230	2	116.0555	0.053	2	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	109.7665	1.296	2	109.7665	1.680	2	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	109.7392	1.076	4	109.7392	1.159	4	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	107.6110	0.000	1	107.6110	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.2350	0.000	1	108.2350	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	109.6940	0.000	1	109.6940	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	101.6800	0.000	1	101.6800	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	109.5730	0.000	1	109.5730	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,1|N<4>,1|O<1>}	107.1120	0.000	1	107.1120	0.000	1	109.3112	10.658	17	109.2908	9.509	19	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	B[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	H(C[5]B[5,5]O[5]C)	O[5](C[5]B[5,5]CH)(C[5]O[5]N)	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	H(C[5]B[5,5]O[5]C)	O[5](C[5]B[5,5]CH)(C[5]O[5]N){2|O<2>}	108.9180	0.194	2	108.9180	0.038	2	108.9180	0.038	2	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	B[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	H(C[5]B[5]O[5]C)	O[5](C[5]B[5]CH)(C[5]O[5]B)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	H(C[5]B[5]O[5]C)	O[5](C[5]B[5]CH)(C[5]O[5]B){2|C<3>}	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	109.5320	0.000	1	109.5320	0.000	1	109.5844	0.458	5	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	109.7760	0.000	1	109.7760	0.000	1	109.5844	0.458	5	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<3>,1|H<1>,1|O<2>}	108.8320	0.000	1	109.0010	0.057	2	109.5844	0.458	5	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	109.1700	0.000	1	109.0010	0.057	2	109.5844	0.458	5	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	110.6120	0.000	1	110.6120	0.000	1	109.5844	0.458	5	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){1|C<4>,1|H<1>,2|C<3>}	108.8810	0.000	1	108.8810	0.000	1	107.7080	1.383	4	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<3>,2|H<1>}	108.5550	0.000	1	107.3170	1.157	3	107.7080	1.383	4	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	106.7870	0.000	1	107.3170	1.157	3	107.7080	1.383	4	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	106.6090	0.000	1	107.3170	1.157	3	107.7080	1.383	4	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>}	109.7530	0.000	1	109.1163	0.356	3	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|H<1>,3|C<4>}	108.7980	0.321	2	109.1163	0.356	3	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>}	109.3720	0.112	2	109.3720	0.012	2	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|C<3>}	109.6065	0.474	2	109.3663	0.286	3	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	108.8860	0.000	1	109.3663	0.286	3	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	108.1960	0.000	1	108.1960	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	107.1270	1.191	2	107.1270	1.418	2	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>}	108.4670	0.000	1	108.4670	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	108.7375	0.247	2	108.7375	0.061	2	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	108.8650	0.000	1	108.6930	0.059	2	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	108.5210	0.000	1	108.6930	0.059	2	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|H<1>,2|O<2>}	108.9037	0.838	3	108.9037	0.702	3	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	105.1120	0.000	1	105.1120	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	109.0790	0.000	1	109.8640	6.744	4	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|H<1>,2|O<2>}	109.4180	0.000	1	109.8640	6.744	4	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|O<2>}	110.4795	4.320	2	109.8640	6.744	4	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>}	108.2050	0.000	1	108.2050	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]O)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	108.3710	0.000	1	108.3710	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]O[5]O){2|C<4>}	106.4920	0.000	1	106.4920	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5]S)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,1|S<1>,4|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>}	109.4610	0.000	1	109.4610	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	109.8840	0.000	1	109.8840	0.000	1	108.7386	2.004	30	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	108.8420	0.000	1	108.8420	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	109.6575	0.015	2	109.6575	0.000	2	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.9750	0.000	1	109.3225	5.462	2	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	107.6700	0.000	1	109.3225	5.462	2	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.0430	0.000	1	108.0430	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|H<1>,1|N<3>,2|C<4>}	108.2450	0.000	1	108.2450	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	106.8720	0.000	1	106.8720	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	108.1010	0.000	1	108.1010	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	114.7270	0.000	1	114.7270	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	109.9331	0.282	8	109.9331	0.079	8	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	110.2510	0.000	1	110.2510	0.000	1	109.6056	2.683	19	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){3|C<4>}	107.7690	0.116	2	107.7690	0.013	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.7130	0.000	1	108.7130	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	110.1910	0.000	1	110.1910	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,3|C<4>}	103.7270	0.000	1	103.7270	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	107.8095	1.515	2	107.8095	2.296	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.3510	0.000	1	109.3510	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	108.5750	0.000	1	108.5750	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<1>,1|C<4>,1|H<1>}	108.6920	0.000	1	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	108.8420	0.000	1	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>,2|H<1>}	106.3770	0.000	1	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.1363	0.423	18	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	109.3950	0.000	1	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.0522	1.889	10	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<2>,2|H<1>}	104.0110	0.000	1	108.5543	2.187	33	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<1>,1|C<4>,1|H<1>}	108.3450	0.000	1	109.0435	0.424	17	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.1127	0.609	13	109.0435	0.424	17	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	109.5135	0.203	2	109.0435	0.424	17	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	107.9030	0.000	1	109.0435	0.424	17	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	108.9720	0.000	1	108.9720	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	109.0720	0.000	1	109.0720	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.4410	0.000	1	108.4410	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.0770	0.000	1	109.0770	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<4>,2|H<1>}	109.3400	0.000	1	109.3400	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|O<2>}	106.5920	0.000	1	106.5920	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	108.4180	0.000	1	108.4180	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	107.8750	0.000	1	107.8750	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.0620	0.000	1	109.0620	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.3220	0.173	2	109.4983	0.108	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	109.8510	0.000	1	109.4983	0.108	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	108.4450	0.000	1	108.4450	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	105.5660	0.000	1	105.5660	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	109.5623	0.371	4	109.3722	0.311	14	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	109.4404	0.243	5	109.3722	0.311	14	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	107.6390	0.000	1	109.3722	0.311	14	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	109.5302	0.199	4	109.3722	0.311	14	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	109.5160	0.000	1	109.5160	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]2){1|C<3>,1|C<4>,4|H<1>}	110.7900	0.071	2	110.7900	0.005	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C){1|Br<1>,3|H<1>}	110.1015	0.156	2	110.1015	0.024	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.7010	0.000	1	108.4455	5.313	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	109.5800	0.000	1	108.4455	5.313	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|S<2>,2|H<1>}	104.9900	0.000	1	108.4455	5.313	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	109.5110	0.000	1	108.4455	5.313	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]Re)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Re<6>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]Re){4|H<1>}	105.6470	0.000	1	105.6470	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]Ru)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Ru<9>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]Ru){4|H<1>}	105.2000	0.000	1	105.2000	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]N){2|C<4>,2|H<1>}	109.4560	0.000	1	109.4560	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	109.8410	0.000	1	109.8410	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,3|H<1>}	104.8330	2.257	2	106.9838	7.904	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<4>,3|H<1>}	109.1345	0.339	2	106.9838	7.904	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	109.3475	0.326	2	108.8970	0.342	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,1|S<2>,2|H<1>}	108.4465	0.327	2	108.8970	0.342	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	110.3100	0.000	1	105.4464	15.557	5	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	104.2305	3.299	4	105.4464	15.557	5	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>}	105.4780	0.000	1	107.8863	4.351	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,1|S<3>}	109.1180	0.000	1	107.8863	4.351	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,1|S<2>,2|H<1>}	109.0630	0.000	1	107.8863	4.351	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	109.1900	0.000	1	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.0510	0.000	1	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|F<1>,1|H<1>,1|O<2>}	109.5430	1.020	2	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	108.2535	2.511	2	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|O<2>,2|H<1>}	108.4420	0.000	1	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,1|O<2>,2|H<1>}	109.3760	0.000	1	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	108.5120	0.000	1	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	108.6910	0.000	1	108.9855	1.219	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	105.0820	0.000	1	105.0820	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Pt<5>,1|O<1>,1|O<2>}	111.2190	0.000	1	111.2190	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	109.4860	0.000	1	109.4860	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>}	108.6120	0.000	1	108.6120	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.3500	1.119	8	109.3500	1.253	8	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H){4|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]C){1|O<2>,2|C<3>}	107.5210	0.000	1	107.5210	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	108.6240	0.000	1	108.6240	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.7720	0.088	2	109.7720	0.008	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|H<1>}	109.0610	0.000	1	109.0610	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>}	108.2880	0.000	1	108.2880	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	107.6860	0.000	1	109.1563	0.302	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.2562	0.061	8	109.1563	0.302	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.8270	0.000	1	109.1563	0.302	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	107.8710	0.000	1	106.0553	12.941	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	105.1475	4.576	2	106.0553	12.941	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>}	108.6840	0.000	1	108.6840	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>}	103.9100	0.000	1	103.9100	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]C){1|C<3>,1|H<1>}	110.0194	0.270	8	110.0194	0.073	8	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]H){1|Ru<6>,1|C<3>,1|H<1>}	110.9425	0.057	2	110.9425	0.003	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	103.6350	0.000	1	107.0760	9.138	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<3>}	109.3040	0.000	1	107.0760	9.138	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	108.2890	0.000	1	107.0760	9.138	3	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.8050	0.000	1	109.8050	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	107.3550	0.000	1	107.3550	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|S<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]C){1|S<4>,2|H<1>}	110.0920	1.049	2	110.0920	1.101	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.9719	0.260	9	109.9719	0.068	9	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]N){1|C<4>,2|H<1>}	109.3550	0.000	1	109.3550	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.0862	0.783	5	109.0952	4.647	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){3|H<1>}	109.1042	3.138	5	109.0952	4.647	10	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.1380	0.000	1	110.1380	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|N<2>,2|H<1>}	108.7653	2.906	4	108.7653	8.444	4	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	109.0960	0.000	1	109.0960	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	109.5710	0.000	1	109.5710	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	109.9040	0.000	1	109.9040	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|H<1>}	109.1090	0.000	1	109.4165	0.189	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	109.7240	0.000	1	109.4165	0.189	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	109.4220	0.000	1	109.4220	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	109.9735	0.788	2	109.9735	0.622	2	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	109.8800	0.000	1	109.8800	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	110.0770	0.000	1	110.0770	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	108.9410	0.000	1	108.9410	0.000	1	108.7939	2.990	213	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](P[5]N[5]CW)(O[5]C[5])(CC3)(H)	H(C[5]O[5]P[5]C)	O[5](C[5]P[5]CH)(C[5]N[5]C)	C[5](P[5]N[5]CW)(O[5]C[5])(CC3)(H){1|C<4>}	H(C[5]O[5]P[5]C)	O[5](C[5]P[5]CH)(C[5]N[5]C){1|C<4>,1|W<6>}	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	108.8220	2.892	276	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	108.0180	0.129	2	108.0180	0.017	2	108.0180	0.017	2	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.9390	0.000	1	108.9390	0.000	1	109.5730	0.301	3	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	109.8900	0.000	2	109.8900	0.000	2	109.5730	0.301	3	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){1|C<2>,1|C<4>,5|C<3>}	108.5460	0.000	1	108.5460	0.000	1	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	108.4980	0.000	1	108.3339	0.070	8	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<2>,5|C<3>}	108.5780	0.000	1	108.3339	0.070	8	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	108.2658	0.275	6	108.3339	0.070	8	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	108.4750	0.131	4	108.4750	0.017	4	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	108.4172	0.465	5	108.4172	0.216	5	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){3|H<1>,4|C<3>}	106.5840	0.000	1	106.5840	0.000	1	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){2|H<1>,4|C<3>}	109.0310	0.000	1	109.0310	0.000	1	108.3409	0.269	20	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	H(C[5]C[5]O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5]H)	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	H(C[5]C[5]O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5]H){1|C<4>,1|O<2>,1|P<3>,2|C<3>,2|H<1>}	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.4591	0.405	26	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5]){2|C<4>,3|C<3>}	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]){1|C<4>,1|H<1>,3|C<3>}	109.2037	0.324	3	109.2037	0.105	3	109.2037	0.105	3	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	108.4870	0.000	1	108.7674	0.222	7	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	109.0020	0.000	1	108.7674	0.222	7	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	109.0990	0.000	1	108.7674	0.222	7	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	108.5140	0.324	2	108.7674	0.222	7	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	108.2340	0.000	1	108.7674	0.222	7	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	109.5220	0.000	1	108.7674	0.222	7	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,1|H<1>,3|C<3>}	108.9350	0.000	1	108.9350	0.000	1	108.7884	0.194	8	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){1|H<1>,4|C<3>}	103.4650	0.000	1	103.4650	0.000	1	103.4650	0.000	1	108.5287	2.503	13	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	B[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]B[5]O[5])	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	H(C[5]C[6a]B[5]O[5])	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C){4|C<3>}	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[3,5,6]C[5a]O[5])	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[3,5,6]C[5a]O[5])	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O){2|C<3>,3|C<4>}	108.0230	0.000	1	107.9327	0.556	3	107.9327	0.556	3	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[3,5,6]C[5a]O[5])	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[3,5,6]C[5a]O[5])	O[5](C[5]C[3,5,6]C[5a]H)(C[5]C[3,5,6]O){2|C<4>,3|C<3>}	107.8875	1.049	2	107.9327	0.556	3	107.9327	0.556	3	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[3,5]C[6]O[5])	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[3,5]C[6]O[5])	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.5182	0.275	4	108.5182	0.076	4	108.5182	0.076	4	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|Br<1>,2|C<3>,2|C<4>}	109.1070	0.000	1	109.1070	0.000	1	108.1343	2.647	6	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,3|C<3>}	107.3863	2.203	3	107.3863	4.851	3	108.1343	2.647	6	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.7700	0.320	2	108.7700	0.102	2	108.1343	2.647	6	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5,5,6]C[5,6]O[5])	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>}	H(C[5]C[5,5,6]C[5,6]O[5])	O[5](C[5]C[5,5,6]C[5,6]H)(C[5]C[5,6]O){1|O<2>,4|C<4>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O){1|C<4>,1|N<3>,4|C<3>}	107.9650	0.000	1	107.9650	0.000	1	108.4600	0.270	4	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O){1|C<4>,1|N<3>,4|C<3>}	108.9050	0.112	2	108.6250	0.241	3	108.4600	0.270	4	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O){1|C<4>,1|N<3>,4|C<3>}	108.0650	0.000	1	108.6250	0.241	3	108.4600	0.270	4	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|H<1>}	108.1883	0.260	3	108.2554	2.374	9	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,2|H<1>,3|C<3>}	108.4760	0.185	2	108.2554	2.374	9	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,4|C<3>}	109.1170	0.000	1	108.2554	2.374	9	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,4|C<3>}	109.7630	0.000	1	108.2554	2.374	9	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	104.4720	0.000	1	108.2554	2.374	9	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,2|H<1>,3|C<3>}	109.4300	0.000	1	108.2554	2.374	9	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,2|H<1>,3|C<3>}	108.2330	0.000	1	108.2330	0.000	1	108.2532	2.110	10	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O){2|C<4>,3|C<3>}	108.3411	0.501	7	108.4996	0.309	9	108.4996	0.309	9	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O){2|C<4>,3|C<3>}	109.3530	0.000	1	108.4996	0.309	9	108.4996	0.309	9	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O){2|C<4>,3|C<3>}	108.7550	0.000	1	108.4996	0.309	9	108.4996	0.309	9	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O){2|C<4>,3|C<3>}	108.2335	0.114	4	108.2335	0.013	4	108.2706	0.017	5	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O){1|C<4>,4|C<3>}	108.4190	0.000	1	108.4190	0.000	1	108.2706	0.017	5	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	108.6670	0.000	1	108.6670	0.000	1	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	109.7590	0.000	1	109.7590	0.000	1	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	109.3690	0.000	1	108.4951	0.300	7	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	108.2533	0.345	3	108.4951	0.300	7	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	109.0670	0.000	1	108.4951	0.300	7	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	107.9990	0.000	1	108.4951	0.300	7	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	108.2710	0.000	1	108.4951	0.300	7	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	107.6370	0.000	1	107.6370	0.000	1	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	106.4010	0.000	1	108.1310	2.374	3	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	109.3560	0.000	1	108.1310	2.374	3	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	108.6360	0.000	1	108.1310	2.374	3	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	109.5030	0.000	1	109.5030	0.000	1	108.5304	0.793	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5,6]O)	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	109.3150	0.426	2	109.2987	0.063	6	109.2987	0.063	6	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5,6]O)	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	109.2905	0.209	4	109.2987	0.063	6	109.2987	0.063	6	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5]){1|H<1>,2|O<2>,3|C<3>}	109.1377	0.169	4	109.1377	0.029	4	108.8636	0.603	22	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.4150	1.171	2	109.0032	0.347	16	108.8636	0.603	22	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	109.0872	0.484	14	109.0032	0.347	16	108.8636	0.603	22	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]C[6a]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5]C[6a]O[5]){1|H<1>,5|C<3>}	107.1990	1.105	2	107.1990	1.220	2	108.8636	0.603	22	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	108.9650	0.000	1	108.9650	0.000	1	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	108.8110	0.000	1	108.8430	0.002	2	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,5|C<3>}	108.8750	0.000	1	108.8430	0.002	2	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.6300	0.000	1	104.4815	19.826	2	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	101.3330	0.000	1	104.4815	19.826	2	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|C<3>}	106.7720	0.000	1	106.7720	0.000	1	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	109.2850	0.000	1	109.2850	0.000	1	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|Ir<8>,1|H<1>,5|C<3>}	108.4025	0.882	2	109.0567	0.434	9	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<2>,4|C<3>}	109.5050	0.000	1	109.0567	0.434	9	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	109.2000	0.550	6	109.0567	0.434	9	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|Zn<4>,1|H<1>,3|C<3>}	108.0420	0.000	1	108.0420	0.000	1	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	108.3867	0.238	11	108.5025	0.222	13	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,4|C<3>}	109.1390	1.068	2	108.5025	0.222	13	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|H<1>,1|P<4>,3|C<3>}	108.1670	0.000	1	108.1670	0.000	1	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O){1|H<1>,3|C<3>}	109.4510	0.000	1	109.4510	0.000	1	108.4179	2.133	32	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]O)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]O){1|Fe<10>,1|C<3>,4|C<4>}	112.2460	0.457	2	112.2460	0.209	2	112.2460	0.209	2	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	108.9740	0.000	1	108.9740	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<3>,3|H<1>}	109.7500	0.000	1	109.7500	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,3|H<1>}	108.6970	0.000	1	109.2550	0.623	2	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,3|H<1>}	109.8130	0.000	1	109.2550	0.623	2	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	108.3570	0.000	1	108.3570	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	108.8735	0.865	2	109.0632	0.577	4	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	109.9010	0.000	1	109.0632	0.577	4	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<4>,3|H<1>}	108.6050	0.000	1	109.0632	0.577	4	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	107.4230	0.000	1	107.4230	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	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>}	109.6730	0.000	1	109.6730	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	108.8380	0.000	1	108.8380	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	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>}	109.3860	0.000	1	109.3860	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	110.0400	0.000	1	110.0400	0.000	1	109.0860	0.582	14	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]O)	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.6435	1.319	134	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){1|C<3>,1|P<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|P<4>,2|C<3>,2|H<1>}	109.1940	0.093	2	109.1940	0.009	2	109.1940	0.009	2	109.7406	5.125	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H)	H(C[5]C[5]2O[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2H){2|H<1>,3|C<3>,3|C<4>}	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	109.7406	5.125	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5,5,6]O)(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5,5,6]O)(C[5]C[5]2H){1|C<3>,2|H<1>,4|C<4>}	110.4140	0.000	1	110.4140	0.000	1	110.3748	8.818	4	109.7406	5.125	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5,5]O)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5,5]O)(C[5]C[5]2H){1|N<2>,2|C<4>,2|H<1>,2|O<2>}	108.0710	0.000	1	108.0710	0.000	1	110.3748	8.818	4	109.7406	5.125	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5,5]O)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5,5]O)(C[5]C[5]2H){2|C<4>,2|H<1>,3|O<2>}	111.5070	4.311	2	111.5070	18.581	2	110.3748	8.818	4	109.7406	5.125	7	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:2:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[3x6]C[5]O[5])	O[5](C[5]C[3x6]C[5]H)(N[5]C[5])	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[3x6]C[5]O[5])	O[5](C[5]C[3x6]C[5]H)(N[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.5178	4.433	6	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	108.2905	0.893	2	108.2905	0.798	2	108.5402	5.537	5	108.5178	4.433	6	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.7067	3.251	3	108.7067	10.572	3	108.5402	5.537	5	108.5178	4.433	6	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]N[3,5]O)	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]N[3,5]O){1|C<3>,1|H<1>}	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]O[5])	O[5](C[5]C[3,5]C[5]H)(C[5]C[5]O)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[3,5]C[5]O[5])	O[5](C[5]C[3,5]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	107.8160	0.681	3	107.8160	0.464	3	107.8160	0.464	3	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	108.6300	0.000	1	108.6300	0.000	1	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]N[5]O)	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]N[5]O){1|H<1>,1|O<2>,4|C<4>}	107.7540	0.000	1	107.7540	0.000	1	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[3,5]O)	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H){1|O<1>,4|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[3,5]O){1|O<2>,2|H<1>,4|C<4>}	109.3770	0.000	1	109.3770	0.000	1	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	110.2800	0.000	1	110.2925	0.000	2	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5,5]O){2|H<1>,2|O<2>,3|C<4>}	110.3050	0.000	1	110.2925	0.000	2	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.8565	0.740	10	110.4841	0.394	37	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	110.7122	0.404	24	110.4841	0.394	37	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O)	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]O){2|H<1>,2|O<2>,3|C<4>}	110.7510	0.244	3	110.4841	0.394	37	110.3394	0.622	42	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,4,5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[4,4,5,6,6]C[5]O[5])	O[5](C[5]C[4,4,5,6,6]C[5]H)(C[5]C[5]O)	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	H(C[5]C[4,4,5,6,6]C[5]O[5])	O[5](C[5]C[4,4,5,6,6]C[5]H)(C[5]C[5]O){2|H<1>,5|C<4>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[4]O[5])	O[5](C[5]C[5,5,6]C[4]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[4]O[5])	O[5](C[5]C[5,5,6]C[4]H)(C[5]C[5,5,6]O){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[5]O[5])	O[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]O[5])	O[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>,4|C<4>}	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|H<1>,1|N<2>,2|C<4>}	108.1450	0.000	1	108.1450	0.000	1	108.7647	0.621	4	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>}	108.8155	1.098	2	108.8155	1.206	2	108.7647	0.621	4	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	109.2830	0.000	1	109.2830	0.000	1	108.7647	0.621	4	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5]O)	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	110.2180	0.000	1	110.2180	0.000	1	109.9446	2.522	8	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]O){1|H<1>,3|C<4>,3|O<2>}	108.9600	0.000	1	108.9600	0.000	1	109.9446	2.522	8	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]O){2|C<4>,2|H<1>,3|O<2>}	109.8568	2.266	4	109.8568	5.133	4	109.9446	2.522	8	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5]O){2|C<4>,2|H<1>,3|O<2>}	111.0310	0.000	1	111.0310	0.000	1	109.9446	2.522	8	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<4>}	109.9210	0.000	1	109.9210	0.000	1	109.9446	2.522	8	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	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]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.9570	0.434	2	109.9570	0.188	2	109.2260	1.697	3	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	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]O)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O){1|H<1>,3|C<4>,3|O<2>}	107.7640	0.000	1	107.7640	0.000	1	109.2260	1.697	3	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	H(C[5]C[5,6]C[6]O[5])	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]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	109.2430	0.000	1	109.2430	0.000	1	107.7828	0.857	11	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O){1|H<1>,4|C<4>}	107.2761	0.415	7	107.2911	0.150	8	107.7828	0.857	11	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	107.3960	0.000	1	107.2911	0.150	8	107.7828	0.857	11	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H)	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|N<2>,2|O<2>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]N[5,6]O){1|N<2>,2|C<4>,3|C<3>}	109.0195	0.634	2	109.0195	0.402	2	107.7828	0.857	11	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(B[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(B[5]O[5]C){1|C<4>,1|H<1>}	109.3732	0.292	6	109.3732	0.085	6	109.3732	0.085	6	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	108.2620	1.174	2	108.2620	1.378	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	109.8650	0.098	2	109.8650	0.010	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|H<1>}	108.9180	0.000	1	107.7605	2.680	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	106.6030	0.000	1	107.7605	2.680	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|H<1>}	109.2110	0.000	1	109.5120	0.181	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,3|H<1>}	109.8130	0.000	1	109.5120	0.181	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	109.9330	0.211	2	109.9330	0.044	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	108.8440	0.000	1	108.8440	0.000	1	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|O<2>,2|H<1>}	109.4470	0.000	1	109.0710	0.173	3	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	108.8830	0.365	2	109.0710	0.173	3	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.0770	0.809	2	109.0770	0.654	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.2385	0.568	2	109.2385	0.322	2	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.5570	0.000	1	109.5570	0.000	1	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	107.5000	0.000	1	107.5000	0.000	1	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	110.3990	0.000	1	110.3990	0.000	1	109.0861	0.903	21	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[3,5]C[5]H)(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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	109.3030	0.349	3	108.8342	0.917	5	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	109.0730	0.000	1	108.8342	0.917	5	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	107.1890	0.000	1	108.8342	0.917	5	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	109.7730	0.000	1	109.7730	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	109.8940	0.000	1	109.8940	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.9400	0.000	1	109.9400	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.7150	0.062	2	109.2714	0.236	7	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.5840	0.000	1	109.2714	0.236	7	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	108.9715	0.433	4	109.2714	0.236	7	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<4>,5|H<1>}	109.7770	0.059	2	109.7770	0.004	2	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	108.2170	0.000	1	107.8995	0.202	2	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|H<1>,5|C<4>}	107.5820	0.000	1	107.8995	0.202	2	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	113.5010	3.897	3	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|O<2>,2|H<1>,4|C<4>}	109.6910	0.000	1	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){3|H<1>,4|C<4>}	108.5260	0.000	1	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.1240	0.000	1	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	107.1290	2.906	2	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	109.0955	0.526	4	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|O<2>,2|H<1>,4|C<4>}	108.0970	1.245	2	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	108.8780	0.000	1	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.8100	0.000	1	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	107.6345	2.398	2	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){3|H<1>,4|C<4>}	109.0333	0.586	3	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	108.7950	0.000	1	109.2968	5.729	22	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	104.3310	0.000	1	107.5653	4.783	4	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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]HH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	108.6433	0.447	3	107.5653	4.783	4	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|H<1>,3|C<4>,3|O<2>}	108.7113	0.287	3	108.7113	0.082	3	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.0140	0.000	1	108.6955	0.929	2	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	109.3770	0.000	1	108.6955	0.929	2	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<4>,2|H<1>,3|O<2>}	108.4320	0.000	1	108.4320	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	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]HO)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>}	109.8550	0.000	1	109.8550	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	110.3760	0.707	2	110.5462	0.220	5	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	110.8725	0.117	2	110.5462	0.220	5	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	110.2340	0.000	1	110.5462	0.220	5	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	109.9235	0.344	2	110.1695	0.127	4	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	110.4155	0.146	2	110.1695	0.127	4	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	109.4760	0.000	1	109.4760	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	109.0790	0.000	1	109.0790	0.000	1	109.2476	2.812	63	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	110.4300	0.000	1	110.4300	0.000	1	108.5132	2.492	5	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	107.1900	0.000	1	107.1900	0.000	1	108.5132	2.492	5	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]N[5]O)	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|S<2>,2|H<1>,3|C<4>}	106.5980	0.000	1	106.5980	0.000	1	108.5132	2.492	5	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]N[5]O)	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	109.1740	0.000	2	109.1740	0.000	2	108.5132	2.492	5	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	108.8630	0.000	1	108.8630	0.000	1	108.2200	1.233	7	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.1480	0.000	1	107.5520	1.016	4	108.2200	1.233	7	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.3533	1.135	3	107.5520	1.016	4	108.2200	1.233	7	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	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]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.4500	0.000	1	109.4500	0.000	1	108.2200	1.233	7	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP2	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]O)	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]O){1|H<1>,2|C<4>,2|O<2>}	109.0190	0.000	1	109.0190	0.000	1	108.2200	1.233	7	109.3118	2.088	177	110.0656	1.857	8381	110.0479	2.076	9155
474	951	976	0:SP3_SP-NON_SP3	C[3x5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:	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)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H)	H(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(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)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H){2|C<4>,3|H<1>,3|O<2>}	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	115.1972	0.022	4	115.1972	0.022	4	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[3x5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){2|C<3>,2|O<2>,4|H<1>}	115.2690	0.000	1	115.1995	0.010	2	115.2543	0.014	3	115.1972	0.022	4	115.1972	0.022	4	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[3x5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|I<1>,1|O<1>,4|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){1|C<3>,1|I<1>,1|O<2>,5|H<1>}	115.1300	0.000	1	115.1995	0.010	2	115.2543	0.014	3	115.1972	0.022	4	115.1972	0.022	4	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[3x5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|O<1>,1|S<2>,2|F<1>,2|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	115.3640	0.000	1	115.3640	0.000	1	115.2543	0.014	3	115.1972	0.022	4	115.1972	0.022	4	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[3x5]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5,5]-2:H-1:	C[3x5]-4:	C[3,5,5]-4:C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H)	H(C[3x5]C[5,5]2O[5,5])	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H){2|C<3>,3|H<1>}	H(C[3x5]C[5,5]2O[5,5])	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H){1|C<3>,5|H<1>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,3x6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	111.7777	0.085	3	111.7777	0.007	3	111.7343	0.012	7	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,3x6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,3x6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,3x6])(C[5,3x6]C[5,3x6]2H){1|C<2>,1|C<3>,3|H<1>,6|C<4>}	111.7340	0.000	1	111.7340	0.000	1	111.7343	0.012	7	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,3x6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6,6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6,6])(C[5,3x6]C[5,3x6]2H){1|C<2>,1|C<3>,3|H<1>,6|C<4>}	111.8490	0.000	1	111.8490	0.000	1	111.7343	0.012	7	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,3x6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H){2|C<3>,4|H<1>,5|C<4>}	111.5440	0.000	1	111.5440	0.000	1	111.7343	0.012	7	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,3x6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6,6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6,6])(C[5,3x6]C[5,3x6]2H){1|C<3>,4|H<1>,6|C<4>}	111.6800	0.000	1	111.6800	0.000	1	111.7343	0.012	7	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,6,6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[3x6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[3x6])(C[5,3x6]C[5,3x6]2H){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	111.5860	0.000	1	111.5860	0.000	1	111.7283	0.015	6	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,6,6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,3x6]C[5,3x6]2H){1|C<2>,1|C<3>,3|H<1>,6|C<4>}	111.9240	0.000	1	111.7990	0.031	2	111.7283	0.015	6	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,6,6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,3x6]C[5,3x6]2H){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	111.6740	0.000	1	111.7990	0.031	2	111.7283	0.015	6	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,6,6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2H){1|C<2>,3|C<3>,3|C<4>,3|H<1>}	111.7740	0.000	1	111.7740	0.000	1	111.7283	0.015	6	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[4,5,6,6]-4:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,3x6]C[5,3x6]2H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	O[5,6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,3x6]C[5,3x6]2H){2|C<3>,4|H<1>,5|C<4>}	111.7060	0.089	2	111.7060	0.008	2	111.7283	0.015	6	111.7315	0.012	13	111.7315	0.012	13	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,3x6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	C[5,5,3x6]-4:	C[5,3x6]-4:C[5,5,3x6]-4:	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]O[5,6])	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]O[5,6])	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[4,5,5,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[4,5,6,6]HH)2(O[5,5]C[4,5,5,6])(H)	H(C[5,5,6,6]C[5,6,6]2O[5,5])	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2H)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]HH)2(O[5,5]C[4,5,5,6])(H){1|O<2>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]2O[5,5])	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2H){1|O<2>,6|H<1>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	113.2757	6.355	3	113.2757	6.355	3	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6,6]C[5,6,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5,6,6]C[5,6,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H){1|C<4>,2|O<2>,3|H<1>}	114.7310	0.041	2	114.7310	0.002	2	114.7310	0.002	2	113.2757	6.355	3	113.2757	6.355	3	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[4,5,3x6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H){2|C<3>,4|H<1>,5|C<4>}	112.0150	0.000	1	112.0150	0.000	1	111.9555	0.007	2	111.9590	0.004	3	111.9590	0.004	3	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[4,5,3x6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	O[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H){1|C<3>,4|H<1>,6|C<4>}	111.8960	0.000	1	111.8960	0.000	1	111.9555	0.007	2	111.9590	0.004	3	111.9590	0.004	3	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[4,5,6,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	O[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	O[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H){2|C<3>,4|H<1>,5|C<4>}	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.9590	0.004	3	111.9590	0.004	3	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	2:3:3:1:	4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-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]H)(H)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	111.9781	7.660	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	2:3:3:1:	4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	112.9320	3.538	3	112.9320	12.516	3	111.5613	6.664	9	111.9781	7.660	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	2:3:3:1:	4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<2>,2|H<1>}	111.8000	0.548	4	110.8760	3.965	6	111.5613	6.664	9	111.9781	7.660	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	2:3:3:1:	4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,3|H<1>}	111.1110	0.000	1	110.8760	3.965	6	111.5613	6.664	9	111.9781	7.660	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	2:3:3:1:	4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|N<3>,3|H<1>}	106.9450	0.000	1	110.8760	3.965	6	111.5613	6.664	9	111.9781	7.660	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	2:3:4:1:	4:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>}	116.0800	0.000	1	116.1603	0.019	3	116.1224	0.013	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>}	116.2005	0.166	2	116.1603	0.019	3	116.1224	0.013	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{2|C<3>,2|H<1>}	116.0655	0.052	2	116.0655	0.003	2	116.1224	0.013	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.4530	0.139	2	115.4984	0.008	5	115.4984	0.008	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.5390	0.000	1	115.4984	0.008	5	115.4984	0.008	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.4780	0.000	1	115.4984	0.008	5	115.4984	0.008	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:2:3:1:	4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.5690	0.000	1	115.4984	0.008	5	115.4984	0.008	5	115.8104	0.117	10	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:3:2:1:	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[5,5,6]-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)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{2|C<3>,2|C<4>}	116.0670	0.164	2	116.0670	0.027	2	116.0670	0.027	2	115.7644	0.136	12	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:3:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-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,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]2O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]2H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]2O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]2H)2{4|C<3>}	116.0500	0.625	2	116.0500	0.391	2	116.0500	0.391	2	115.7644	0.136	12	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:3:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-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,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{4|C<3>}	115.7692	0.304	4	115.7692	0.093	4	115.7692	0.093	4	115.7644	0.136	12	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:3:2:1:	4:	4:4:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{4|C<3>}	115.4655	0.181	4	115.4655	0.033	4	115.4655	0.033	4	115.7644	0.136	12	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-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)	H(C[5,5,6]C[5,3x6]C[5,5,6]O[5,5])	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>}	H(C[5,5,6]C[5,3x6]C[5,5,6]O[5,5])	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>}	112.8445	0.566	2	112.8445	0.321	2	112.8445	0.321	2	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H){1|C<4>,2|C<3>,2|H<1>}	115.4750	0.000	1	115.4750	0.000	1	115.8130	0.280	4	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2{2|H<1>,3|C<3>}	115.2490	0.000	1	115.2490	0.000	1	115.8130	0.280	4	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2{1|N<3>,2|C<3>,2|H<1>}	116.2640	0.047	2	116.2640	0.002	2	115.8130	0.280	4	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{2|H<1>,4|C<3>}	114.9890	0.274	2	114.9890	0.075	2	115.2632	0.047	8	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|O<2>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H){1|O<2>,2|H<1>,3|C<3>}	115.3960	0.000	1	115.3960	0.000	1	115.2632	0.047	8	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{2|H<1>,4|C<3>}	115.2715	0.037	2	115.2887	0.002	3	115.2632	0.047	8	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.3230	0.000	1	115.2887	0.002	3	115.2632	0.047	8	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.3340	0.000	1	115.4330	0.020	2	115.2632	0.047	8	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.5320	0.000	1	115.4330	0.020	2	115.2632	0.047	8	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	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]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.9680	0.000	1	114.9257	0.041	3	114.6173	0.592	6	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	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]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.7060	0.000	1	114.9257	0.041	3	114.6173	0.592	6	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	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]H)(O[5,5]C[5,5,6])(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{2|H<1>,4|C<3>}	115.1030	0.000	1	114.9257	0.041	3	114.6173	0.592	6	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]N[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	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]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.9280	0.098	2	114.3090	1.154	3	114.6173	0.592	6	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]N[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	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]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|N<3>,2|H<1>,3|C<3>}	113.0710	0.000	1	114.3090	1.154	3	114.6173	0.592	6	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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|O<2>,2|H<1>,3|C<3>}	114.8780	0.000	1	114.9260	0.005	2	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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){3|C<3>,3|H<1>}	114.9740	0.000	1	114.9260	0.005	2	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(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])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,2|H<1>,5|C<3>}	115.1380	0.000	1	115.1380	0.000	1	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|C<2>,2|C<3>,3|H<1>}	114.8580	0.000	1	114.7173	0.015	3	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|C<4>,2|C<3>,3|H<1>}	114.6470	0.016	2	114.7173	0.015	3	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(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])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,2|H<1>,5|C<3>}	114.6290	0.000	1	114.6290	0.000	1	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|Si<4>,2|H<1>,3|C<3>}	114.9465	0.098	2	114.9465	0.010	2	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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>,4|H<1>}	114.9340	0.000	1	114.9340	0.000	1	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|C<2>,2|C<3>,3|H<1>}	115.3330	0.000	1	115.0253	0.028	7	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|C<4>,2|C<3>,3|H<1>}	114.9560	0.088	2	115.0253	0.028	7	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|P<3>,2|C<3>,3|H<1>}	114.9653	0.151	3	115.0253	0.028	7	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|S<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|S<2>,2|C<3>,3|H<1>}	115.0360	0.000	1	115.0253	0.028	7	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HP)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|P<3>,2|C<3>,3|H<1>}	114.9583	0.081	3	114.9583	0.007	3	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HS)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|S<2>,2|C<3>,3|H<1>}	115.0060	0.000	1	115.0060	0.000	1	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]SiH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	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])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|Si<4>,2|H<1>,3|C<3>}	114.4930	0.048	2	114.4930	0.002	2	114.8975	0.042	23	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.3130	0.000	1	114.3130	0.000	1	114.3130	0.000	1	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	3:4:2:1:	4:	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[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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	114.8264	0.693	45	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]O[5,5]O[5,6])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]O[5,5]O[5,6])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H){2|O<2>,4|H<1>}	115.0797	2.392	3	115.0797	5.720	3	115.0797	5.720	3	114.5940	4.757	4	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:S[5,6]-2:H-1:	C[5,5,6]-4:	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])(S[5,6]C[5,6])(H)	H(C[5,5,6]C[5,6]O[5,5]S[5,6])	O[5,5](C[5,5,6]C[5,6]S[5,6]H)(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])(S[5,6]C[5,6])(H){1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6]O[5,5]S[5,6])	O[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H){2|O<2>,4|H<1>}	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	114.5940	4.757	4	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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]H)(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	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>}	115.5610	0.007	2	115.5610	0.000	2	115.5610	0.000	2	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	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>}	115.4243	0.108	10	115.4243	0.012	10	115.4243	0.012	10	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[3x5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5,5])	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>}	114.5000	0.000	1	114.5000	0.000	1	114.5000	0.000	1	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	115.4010	0.000	1	115.4010	0.000	1	115.2065	0.042	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	115.1910	0.000	1	115.1910	0.000	1	115.2065	0.042	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	115.0600	0.000	1	114.9835	0.012	2	115.2065	0.042	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	114.9070	0.000	1	114.9835	0.012	2	115.2065	0.042	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	115.2280	0.000	1	115.3400	0.025	2	115.2065	0.042	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	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>}	115.4520	0.000	1	115.3400	0.025	2	115.2065	0.042	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	114.8213	0.133	8	114.8174	0.018	12	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	114.8098	0.159	4	114.8174	0.018	12	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	110.6905	0.128	2	110.6905	0.016	2	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.1420	0.000	1	115.1420	0.000	1	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.3773	0.177	3	115.3174	0.022	5	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.2380	0.000	1	115.3174	0.022	5	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.2170	0.000	1	115.3174	0.022	5	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.0910	0.000	1	115.0910	0.000	1	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.2947	0.165	4	115.4455	0.187	10	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.4520	0.000	1	115.4455	0.187	10	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.2815	0.182	2	115.4455	0.187	10	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	115.7537	0.753	3	115.4455	0.187	10	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	111.0690	0.000	1	111.0690	0.000	1	114.7354	1.783	32	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	114.6663	0.244	7	114.6663	0.059	7	113.3496	5.628	13	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	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[5,5,6]-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)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<4>,4|H<1>}	111.8135	2.860	6	111.8135	8.177	6	113.3496	5.628	13	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	114.7670	0.461	2	115.0073	0.280	3	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	115.4880	0.000	1	115.0073	0.280	3	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	114.0386	1.637	9	114.0208	2.271	12	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	113.2325	0.541	2	114.0208	2.271	12	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	115.4370	0.000	1	114.0208	2.271	12	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	112.1800	0.000	1	112.1800	0.000	1	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	115.3580	0.000	1	115.3580	0.000	1	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	115.0400	0.000	1	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	114.4328	1.980	35	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	114.9280	0.000	1	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	113.7708	2.018	4	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	115.2115	0.200	2	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	115.0970	0.000	1	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	115.1160	0.000	1	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	115.5775	0.012	2	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{3|C<3>,3|H<1>}	111.5920	0.000	1	114.4496	3.418	48	114.3752	3.046	65	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	115.2710	0.000	1	115.2050	0.009	2	114.5312	0.584	5	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	115.1390	0.000	1	115.2050	0.009	2	114.5312	0.584	5	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	114.4340	0.267	2	114.4340	0.071	2	114.5312	0.584	5	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	113.3780	0.000	1	113.3780	0.000	1	114.5312	0.584	5	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.7915	0.252	2	114.7915	0.064	2	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	111.6410	0.000	1	111.6410	0.000	1	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.0615	0.445	2	115.1210	0.094	14	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.1385	0.349	8	115.1210	0.094	14	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.1157	0.234	4	115.1210	0.094	14	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.8120	0.000	1	114.9015	0.016	2	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.9910	0.000	1	114.9015	0.016	2	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.9770	0.023	2	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.0720	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	107.0980	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.0520	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.0430	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.0730	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	105.8260	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.8800	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.3530	0.559	2	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	110.8340	0.000	1	113.1282	11.190	12	114.2019	5.276	31	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.0480	0.000	1	114.4823	1.833	6	114.4823	1.833	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.9505	0.125	2	114.4823	1.833	6	114.4823	1.833	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.9020	0.000	1	114.4823	1.833	6	114.4823	1.833	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	111.7370	0.000	1	114.4823	1.833	6	114.4823	1.833	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.3060	0.000	1	114.4823	1.833	6	114.4823	1.833	6	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.4510	0.000	1	115.4510	0.000	1	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,1|C<4>,4|H<1>}	115.1183	0.077	3	115.1183	0.006	3	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.1080	0.047	2	114.1080	0.002	2	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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]O)(H)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.3690	0.000	1	115.3690	0.000	1	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.9200	0.000	1	114.9200	0.000	1	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,2|C<4>,3|H<1>}	111.6165	1.358	2	113.0754	3.823	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,3|H<1>}	111.9540	0.000	1	113.0754	3.823	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	115.0493	0.120	4	113.0754	3.823	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,2|H<1>,3|C<3>}	111.4330	0.000	1	113.0754	3.823	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,5|H<1>}	110.8620	0.000	1	113.0754	3.823	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.9300	0.000	1	114.2468	2.077	5	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|O<2>,2|F<1>,2|H<1>}	114.8730	0.224	3	114.2468	2.077	5	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<2>,1|O<1>,4|H<1>}	111.6850	0.000	1	114.2468	2.077	5	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,2|H<1>,3|C<3>}	111.3800	0.000	1	111.3800	0.000	1	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	115.5240	0.000	1	115.5240	0.000	1	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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]H)(H)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|O<2>,2|F<1>,2|H<1>}	115.5270	0.445	3	115.5270	0.198	3	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,1|C<4>,4|H<1>}	114.9897	0.089	3	114.3996	4.382	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<2>,1|O<1>,4|H<1>}	116.4340	0.000	1	114.3996	4.382	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,5|H<1>}	110.3550	0.000	1	114.3996	4.382	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	111.2870	0.000	1	114.3996	4.382	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|P<4>,4|H<1>}	115.5170	0.173	3	114.3996	4.382	9	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|N<3>,3|H<1>}	109.2850	0.000	1	109.2850	0.000	1	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|P<4>,4|H<1>}	115.5243	0.390	3	115.5243	0.152	3	114.1791	3.508	40	114.3881	3.151	214	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H){1|O<2>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,6])(C[5,5,6]C[5,6]2H){1|O<2>,3|H<1>,5|C<4>}	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	113.0303	0.708	3	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:	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]HH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]HH)(H){2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	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){2|C<4>,9|H<1>}	113.4750	0.000	1	113.4750	0.000	1	112.7675	1.001	2	113.0303	0.708	3	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:	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]O[5,6]HH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6,6]C[5,6,6]O[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]O[5,6]HH)(H){1|S<4>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2H){1|S<4>,2|C<4>,6|H<1>}	112.0600	0.000	1	112.0600	0.000	1	112.7675	1.001	2	113.0303	0.708	3	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H){1|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H){2|H<1>,6|C<3>}	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]H)2{6|C<3>}	114.7215	0.084	2	114.7215	0.007	2	114.7215	0.007	2	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-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)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6,6]C[5,6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6,6]C[5,6,6a]H){2|C<4>,2|H<1>,4|C<3>}	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	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)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C)(C[5,5,6]C[5,5,6,6]C[5,6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C)(C[5,5,6]C[5,5,6,6]C[5,6,6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.8595	0.513	4	114.8595	0.263	4	115.0761	0.113	12	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	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)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2{2|C<3>,2|C<4>,2|H<1>}	115.1844	0.157	8	115.1844	0.025	8	115.0761	0.113	12	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-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)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	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>}	112.8225	0.750	2	112.8225	0.563	2	111.6965	2.543	4	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-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)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	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>}	110.5705	1.412	2	110.5705	1.994	2	111.6965	2.543	4	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-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]C[4,5,6]O)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	114.7450	0.000	1	114.7450	0.000	1	113.1525	5.072	2	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{3|C<3>,3|H<1>}	111.5600	0.000	1	111.5600	0.000	1	113.1525	5.072	2	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|N<3>,2|H<1>,3|C<3>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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>}	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,6]2O[5,5])	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>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,2|C<4>,3|H<1>}	110.2495	2.459	2	110.2495	6.045	2	110.2495	6.045	2	113.7464	3.657	27	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	N[3x5,6]-3:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](N[3x5,6]C[5,5,6]2)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](N[3x5,6]C[5,5,6]2)(C[5,5,6]C[5,6]2H){2|C<3>,2|C<4>,4|H<1>}	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	113.9740	0.011	2	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	N[5,5,6]-3:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](N[5,5,6]C[5,6,6]C[5,6])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H){1|H<1>,3|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](N[5,5,6]C[5,6,6]C[5,6])(C[5,5,6]C[5,6]2H){3|C<4>,5|H<1>}	114.0490	0.000	1	114.0490	0.000	1	114.0490	0.000	1	113.9740	0.011	2	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2{1|C<4>,2|C<3>,4|H<1>}	114.7555	0.046	2	114.7555	0.002	2	114.7555	0.002	2	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|H<1>,2|C<4>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Br<1>,1|C<4>,2|O<2>,6|H<1>}	114.0790	0.000	1	110.8605	20.717	2	110.8605	20.717	2	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Cl<1>,1|H<1>,2|C<4>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	107.6420	0.000	1	110.8605	20.717	2	110.8605	20.717	2	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H){2|C<4>,2|O<2>,6|H<1>}	109.5160	0.180	2	109.5160	0.032	2	109.5160	0.032	2	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3x5,6,6]-4:C[4,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6,6]C[4,5,6]O[5,5])	O[5,5](C[5,5,6]C[3x5,6,6]C[4,5,6]H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[3x5,6,6]C[4,5,6]O[5,5])	O[5,5](C[5,5,6]C[3x5,6,6]C[4,5,6]H)2{2|C<4>,2|H<1>,4|C<3>}	114.2236	0.121	11	114.2236	0.015	11	114.2236	0.015	11	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.9920	0.041	2	114.1986	0.053	5	114.1986	0.053	5	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.4420	0.052	2	114.1986	0.053	5	114.1986	0.053	5	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.1250	0.000	1	114.1986	0.053	5	114.1986	0.053	5	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2{2|Br<1>,2|C<3>,2|C<4>,2|H<1>}	113.8075	0.217	2	113.8075	0.047	2	113.8075	0.047	2	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	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)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<4>,6|H<1>}	109.2488	1.609	4	109.2488	2.590	4	109.2488	2.590	4	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2O[5,5])	O[5,5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6]2H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5,5])	O[5,5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.5820	0.000	1	113.5820	0.000	1	113.5820	0.000	1	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,5,6]2H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,5,6]2H)2{2|C<3>,2|S<2>,4|H<1>}	113.9985	0.151	2	113.9985	0.023	2	113.9985	0.023	2	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.3130	1.601	2	113.0757	1.631	4	113.0757	1.631	4	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,2|O<2>,3|C<4>,5|H<1>}	113.8385	0.063	2	113.0757	1.631	4	113.0757	1.631	4	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,2|C<4>,4|H<1>}	113.4815	0.122	2	113.4863	0.008	3	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<4>,2|C<3>,5|H<1>}	113.4960	0.000	1	113.4863	0.008	3	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]CH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<4>,2|C<3>,5|H<1>}	113.7050	0.000	1	113.7050	0.000	1	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<4>,2|C<3>,5|H<1>}	113.9250	0.000	1	113.4970	1.490	20	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<4>,2|C<3>,5|H<1>}	114.0030	0.000	1	113.4970	1.490	20	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,6|H<1>}	113.3799	1.347	16	113.4970	1.490	20	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	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]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,6|H<1>}	113.9665	0.145	2	113.4970	1.490	20	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]C){1|C<4>,2|O<2>,3|H<1>}	114.2170	0.000	1	114.2170	0.000	1	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H){2|O<2>,4|H<1>}	115.8670	4.221	3	115.8670	17.820	3	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]O[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[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H){1|Ru<8>,2|C<4>,2|O<2>,4|H<1>}	114.7260	0.000	1	114.7260	0.000	1	113.8154	2.856	29	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	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>}	110.8833	1.933	4	110.8833	3.735	4	110.8833	3.735	4	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(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)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H){2|C<4>,3|H<1>,3|O<2>}	113.2700	0.000	1	113.2700	0.000	1	113.2700	0.000	1	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-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]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	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)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{2|C<4>,2|O<2>,4|H<1>}	109.5693	1.096	4	109.5693	1.201	4	109.5693	1.201	4	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H){1|C<4>,1|O<2>,3|C<3>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	112.7760	0.000	1	112.7760	0.000	1	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	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|N<3>,2|C<4>,7|H<1>}	112.6920	0.000	1	112.6920	0.000	1	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){2|C<3>,2|O<2>,4|H<1>}	113.6250	0.000	1	113.6250	0.000	1	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	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>,7|H<1>}	113.3353	0.066	4	113.3353	0.004	4	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	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>,7|H<1>}	113.7077	0.027	3	113.9985	0.339	4	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	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>,7|H<1>}	114.8710	0.000	1	113.9985	0.339	4	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	114.2290	0.000	1	114.2290	0.000	1	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){1|C<3>,1|I<1>,1|O<2>,5|H<1>}	114.4620	0.000	1	114.4620	0.000	1	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){2|Br<1>,1|C<3>,1|N<3>,7|H<1>}	113.4090	0.024	2	113.4090	0.001	2	113.5958	0.333	15	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6,6]C[5,6,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6,6]C[5,6,6]2C)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	114.2050	0.000	1	114.2050	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	114.0980	0.000	1	114.0980	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	113.7350	0.000	1	113.7350	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,3|C<4>,3|H<1>}	112.4875	0.084	2	112.4875	0.007	2	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,6|H<1>}	113.6058	0.145	8	113.6058	0.021	8	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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]HI)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,1|I<1>,2|C<3>,4|H<1>}	108.3520	0.000	1	108.3520	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	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]HO)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<4>,2|O<2>,4|H<1>}	113.0395	0.316	2	113.0395	0.100	2	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H){1|C<3>,1|I<1>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,1|I<1>,2|C<3>,4|H<1>}	108.9830	0.000	1	108.9830	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,3|C<4>,3|H<1>}	111.9705	0.107	2	111.9705	0.011	2	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	113.8680	0.000	1	113.8680	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	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]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5,6]C[5,6]2O[5,5])	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>}	113.9220	0.112	4	113.9220	0.013	4	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P){1|O<2>,1|P<4>,6|H<1>}	113.3820	0.000	1	113.3820	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P){1|P<4>,7|H<1>}	113.0410	0.000	1	113.0410	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	O[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H){2|O<2>,4|H<1>}	112.6910	0.000	1	112.6910	0.000	1	113.0327	1.969	27	113.1220	3.457	116	114.0690	3.497	444	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]O[5,6]O[5])	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]O[5]H)	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]O[5])	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]O[5]H){2|H<1>,6|C<4>}	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.3957	2.080	6	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]O[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]O[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|O<2>,2|H<1>}	111.3927	2.279	3	111.3927	5.195	3	111.3927	5.195	3	111.3957	2.080	6	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H)	H(C[5,5,6]C[5,5,6]O[5,6]2)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H){1|Se<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]O[5,6]2)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]C){2|C<4>,3|H<1>}	111.3570	0.000	1	111.3570	0.000	1	111.3595	0.000	2	111.3957	2.080	6	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H)	H(C[5,5,6]C[5,5,6]O[5,6]2)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H){1|Se<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]O[5,6]2)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]H){2|H<1>,3|C<4>}	111.3620	0.000	1	111.3620	0.000	1	111.3595	0.000	2	111.3957	2.080	6	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]C[5]H)	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]C[5]H){1|O<2>,4|H<1>,5|C<4>}	102.9590	0.000	1	102.9590	0.000	1	109.0247	27.595	3	111.1312	11.051	8	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[3x5,6]C[5]H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[3x5,6]C[5]H){1|C<3>,3|H<1>,5|C<4>}	112.0575	0.040	2	112.0575	0.002	2	109.0247	27.595	3	111.1312	11.051	8	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<4>,7|H<1>}	111.7110	0.000	1	112.1383	0.180	3	112.1383	0.180	3	111.1312	11.051	8	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,1|N<4>,6|H<1>}	112.1440	0.000	1	112.1383	0.180	3	112.1383	0.180	3	111.1312	11.051	8	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	112.5600	0.000	1	112.1383	0.180	3	112.1383	0.180	3	111.1312	11.051	8	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]O[5]2)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]O[5]2){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	112.7805	0.088	2	112.7805	0.008	2	112.7805	0.008	2	111.1312	11.051	8	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>}	115.5200	0.000	1	115.5200	0.000	1	115.5200	0.000	1	115.5200	0.000	1	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,6])	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,6])	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H){2|H<1>,4|C<3>}	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	115.1550	0.036	3	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>}	114.9810	0.000	1	115.0540	0.011	2	115.0540	0.011	2	115.1550	0.036	3	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:	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)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>}	115.1270	0.000	1	115.0540	0.011	2	115.0540	0.011	2	115.1550	0.036	3	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5,6]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C){1|C<4>,1|N<2>,4|H<1>}	114.3770	0.000	1	114.3770	0.000	1	114.4000	0.001	2	114.4000	0.001	2	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5,6]-3:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C){1|C<4>,1|O<2>,4|H<1>}	114.4230	0.000	1	114.4230	0.000	1	114.4000	0.001	2	114.4000	0.001	2	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5,6])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5,6])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,3|H<1>,4|O<2>}	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[3x5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[3x5]C[5,6]H)	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[3x5]C[5,6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]O[5,6])	O[5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,5,6]C[5,5,6,6]C[5,5]H)	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]O[5,6])	O[5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,5,6]C[5,5,6,6]C[5,5]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>,5|C<4>}	114.2810	0.000	1	114.2810	0.000	1	114.2810	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|O<2>,2|C<4>,3|H<1>}	113.6120	0.109	2	113.6120	0.012	2	113.6120	0.012	2	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<4>,7|H<1>}	114.4810	0.000	1	114.4810	0.000	1	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,1|N<4>,6|H<1>}	114.4320	0.000	1	114.4320	0.000	1	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,3|H<1>,4|O<2>}	108.2800	0.000	1	108.2800	0.000	1	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	114.4700	0.000	1	114.4700	0.000	1	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	111.9510	0.000	1	112.0570	0.016	8	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	112.1073	0.110	4	112.0570	0.016	8	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	112.1890	0.000	1	112.0570	0.016	8	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	112.0230	0.000	1	112.0570	0.016	8	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	111.8640	0.000	1	112.0570	0.016	8	112.3432	2.794	12	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|N<3>,5|H<1>}	114.2470	0.000	1	114.2470	0.000	1	112.6537	1.905	3	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C)	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H){1|H<1>,2|C<4>,2|O<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	111.8570	0.031	2	111.8570	0.001	2	112.6537	1.905	3	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:S[5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO){1|C<3>,1|C<4>,3|H<1>}	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]Br)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]Br)(C[5,5,6]C[5,5]C[5,6]H){1|Br<1>,1|C<4>,1|N<3>,6|H<1>}	114.6740	0.000	1	114.6740	0.000	1	113.3069	2.941	9	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H){2|C<4>,7|H<1>}	113.5888	0.187	4	113.5888	0.035	4	113.3069	2.941	9	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H){1|S<4>,2|C<4>,5|H<1>}	109.3200	0.000	1	109.3200	0.000	1	113.3069	2.941	9	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	114.9860	0.000	1	114.9860	0.000	1	113.3069	2.941	9	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	114.3330	0.000	1	114.3330	0.000	1	113.3069	2.941	9	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.0940	0.000	1	112.0940	0.000	1	113.3069	2.941	9	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]N)	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]N){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.9880	0.000	1	111.9880	0.000	1	113.6586	8.905	7	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.4900	0.000	1	107.4900	0.000	1	113.6586	8.905	7	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>,2|H<1>,2|O<2>}	115.0820	0.064	2	115.0820	0.004	2	113.6586	8.905	7	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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<2>,1|N<3>,1|O<2>,2|H<1>}	115.6760	0.000	1	115.6760	0.000	1	113.6586	8.905	7	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	115.0080	0.000	1	115.0080	0.000	1	113.6586	8.905	7	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	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>,2|H<1>,2|O<2>}	115.2840	0.000	1	115.2840	0.000	1	113.6586	8.905	7	113.0506	3.571	40	112.8205	4.964	60	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]O[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5]C)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5]C){2|C<3>,2|H<1>,3|C<4>}	112.2780	0.000	1	112.2780	0.000	1	112.2780	0.000	1	111.8407	1.094	3	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:S[5]-3:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[6a]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[6a]C[5]){2|C<3>,3|C<4>,4|H<1>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	111.8407	1.094	3	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:N[5]-3:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	111.8407	1.094	3	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	109.4920	0.000	1	109.4920	0.000	1	110.2038	0.972	5	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH){2|H<1>,5|C<4>}	110.3817	1.042	4	110.3817	1.085	4	110.2038	0.972	5	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:S[5]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){2|O<1>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO){3|C<4>,4|H<1>}	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.0465	0.146	2	111.5575	3.059	4	111.5575	3.059	4	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	113.0685	0.151	2	111.5575	3.059	4	111.5575	3.059	4	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[4,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[4,5]C[4,5]C[4]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[4,5]C[4,5]C[4]C){3|H<1>,6|C<4>}	109.8080	0.281	2	109.8080	0.079	2	109.8080	0.079	2	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	111.3336	0.302	8	111.3336	0.091	8	111.5195	0.229	10	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]O[5]3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]O[5]3){2|C<3>,2|H<1>,3|C<4>}	112.2630	0.204	2	112.2630	0.041	2	111.5195	0.229	10	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.6985	1.359	4	111.6985	1.848	4	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	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[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,3|C<4>,3|O<2>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|Cl<1>,1|H<1>,3|C<4>}	110.6620	0.000	2	110.6620	0.000	2	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	112.9410	0.000	1	112.9410	0.000	1	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	110.8955	0.484	2	110.8955	0.235	2	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	113.0270	0.000	1	113.0270	0.000	1	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	109.9260	0.000	1	110.4495	0.548	2	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	110.9730	0.000	1	110.4495	0.548	2	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	112.1523	0.165	3	112.1523	0.027	3	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH){2|H<1>,3|C<4>}	112.7655	0.166	2	112.7655	0.028	2	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.7180	0.065	3	111.7180	0.004	3	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.0520	3.598	3	111.5740	9.722	4	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	113.1400	0.000	1	111.5740	9.722	4	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	110.5970	3.160	3	110.5970	9.984	3	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	111.6150	0.000	2	111.6150	0.000	2	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.5070	0.000	1	112.5070	0.000	1	111.5914	2.494	30	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	111.3865	2.016	53	111.4111	1.921	57	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,5]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]2O[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>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.2243	0.331	3	110.2243	0.110	3	110.2243	0.110	3	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,5a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H)	H(C[5,5]C[5,5a]C[3x5]O[5])	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H){1|S<4>,5|C<3>,6|H<1>}	H(C[5,5]C[5,5a]C[3x5]O[5])	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5a]C[5,5]O[5])	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5a]C[5,5]O[5])	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	111.3370	0.000	1	111.3370	0.000	1	111.8645	0.557	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5a]C[5,5]O[5])	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5a]C[5,5]O[5])	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	112.3920	0.000	1	112.3920	0.000	1	111.8645	0.557	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5,6]O[5])	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>}	H(C[5,5]C[5,5]C[5,6]O[5])	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>}	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6,6]-4:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H)	H(C[5,5]C[5,5,6,6]C[5,6a]O[5])	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]O[5])	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	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>}	110.3770	0.000	1	110.3770	0.000	1	110.8136	1.590	5	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.4865	2.251	2	110.4865	5.066	2	110.8136	1.590	5	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H){2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>}	110.9740	0.000	1	110.9740	0.000	1	110.8136	1.590	5	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.7440	0.000	1	111.7440	0.000	1	110.8136	1.590	5	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]N[5,5]O[5])	O[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,6a]N[5,5]O[5])	O[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	110.4140	0.000	2	110.4140	0.000	2	110.4140	0.000	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	111.1940	0.000	1	111.1940	0.000	1	110.8325	0.261	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	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>}	110.4710	0.000	1	110.4710	0.000	1	110.8325	0.261	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	110.7075	0.303	2	110.7075	0.092	2	110.5810	0.668	6	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	111.7170	0.000	1	111.7170	0.000	1	110.5810	0.668	6	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	110.9400	0.000	1	110.9400	0.000	1	110.5810	0.668	6	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	109.7070	0.520	2	109.7070	0.271	2	110.5810	0.668	6	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5,5]N[5,6a]C[5,5]O[5])	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,5]N[5,6a]C[5,5]O[5])	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	109.9120	0.000	1	109.9120	0.000	1	110.8430	1.734	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]N[5,6a]C[5,5]O[5])	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,5]N[5,6a]C[5,5]O[5])	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.7740	0.000	1	111.7740	0.000	1	110.8430	1.734	2	110.8598	0.837	26	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C){2|C<4>,3|H<1>}	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H)	H(C[5,5]C[3x5,6]O[5]2)	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H){4|H<1>,7|C<4>}	H(C[5,5]C[3x5,6]O[5]2)	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC){1|H<1>,4|C<4>}	110.8928	0.166	4	110.8928	0.028	4	110.8928	0.028	4	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H)	H(C[5,5]C[3x5,6]O[5]2)	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H){4|H<1>,7|C<4>}	H(C[5,5]C[3x5,6]O[5]2)	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H){1|O<2>,3|H<1>,7|C<4>}	110.9278	0.125	4	110.9278	0.016	4	110.9278	0.016	4	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[3x5]-4:C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H)	H(C[5,5]C[3x5]O[5]2)	O[5](C[3x5]C[4x5]C[5,5]C[5])(C[5,5]C[3x5]O[5]H)	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[3x5]O[5]2)	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>}	111.0425	0.180	2	111.0425	0.033	2	111.0425	0.033	2	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH){1|C<3>,2|C<4>,2|O<2>}	111.7580	0.000	1	111.7580	0.000	1	111.4635	0.173	2	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H)	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H){1|O<1>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	111.1690	0.000	1	111.1690	0.000	1	111.4635	0.173	2	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[3x5]O[5]2)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[4x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(O[5]C[5])2(H)	H(C[5,5]C[4x5]O[5]2)	O[5](C[5,5]C[4x5]O[5]H)(C[5]C[5,5]HH)	C[5,5](C[4x5]C[3x5]C[5,5]2)(O[5]C[5])2(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,5]C[4x5]O[5]2)	O[5](C[5,5]C[4x5]O[5]H)(C[5]C[5,5]HH){1|H<1>,4|C<4>}	107.5885	0.156	2	107.5885	0.024	2	107.5885	0.024	2	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]HH)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]HH){1|H<1>,4|C<4>}	109.4180	0.000	1	109.4180	0.000	1	109.8102	0.141	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	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>}	109.8100	0.000	1	109.5665	0.119	2	109.8102	0.141	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|H<1>,4|C<4>}	109.3230	0.000	1	109.5665	0.119	2	109.8102	0.141	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H)	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	110.0740	0.000	1	110.0740	0.000	1	109.8102	0.141	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|O<2>}	109.9490	0.000	1	109.9490	0.000	1	109.8102	0.141	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	110.2870	0.000	1	110.2870	0.000	1	109.8102	0.141	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H)	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H){2|H<1>,4|C<3>,4|C<4>}	110.7890	0.171	2	110.7890	0.029	2	110.7890	0.029	2	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:N[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[3,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,4|H<1>}	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5,5]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5,5]C[5,5]O[5]H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	110.8365	0.286	4	110.8365	0.082	4	110.8365	0.082	4	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[4,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2C[5])	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2C[5]){1|S<2>,2|C<4>,2|O<2>,5|H<1>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	110.6060	0.000	1	110.6060	0.000	1	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{2|C<3>,2|C<4>,2|H<1>}	110.6225	0.572	2	110.6393	2.072	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	108.9450	3.155	2	110.6393	2.072	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{1|C<3>,2|H<1>,3|C<4>}	111.1270	0.000	1	110.6393	2.072	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	111.2262	0.407	5	110.6393	2.072	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{1|C<3>,2|H<1>,3|C<4>}	111.1563	0.472	3	110.2513	1.223	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{2|C<3>,2|C<4>,2|H<1>}	108.9210	1.957	2	110.2513	1.223	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{1|C<3>,2|H<1>,3|C<4>}	110.0725	0.760	2	110.2513	1.223	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	110.3523	0.179	3	110.2513	1.223	10	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]O[5]H){2|C<4>,2|O<2>,4|H<1>}	111.2270	0.000	1	111.2270	0.000	1	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	109.1460	0.000	1	110.4083	1.480	3	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){2|C<4>,2|H<1>,4|O<2>}	111.5730	0.000	1	110.4083	1.480	3	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	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])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){2|O<2>,3|C<4>,3|H<1>}	110.5060	0.000	1	110.4083	1.480	3	110.4786	1.416	25	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H){1|C<3>,2|H<1>,3|C<4>}	107.3270	0.000	1	107.3270	0.000	1	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|B<3>,1|C<4>,3|H<1>,3|O<2>}	108.6448	5.515	7	108.6448	30.418	7	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	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>}	110.7775	0.049	2	109.7930	2.909	3	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H){2|O<2>,3|C<4>,3|H<1>}	107.8240	0.000	1	109.7930	2.909	3	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	111.0310	0.110	2	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	110.8110	0.000	1	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	110.5450	0.000	1	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|H<1>,3|C<4>,3|O<2>}	112.2160	0.000	1	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	111.2890	0.000	1	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	110.9530	0.293	4	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,1|S<2>,2|O<2>,4|H<1>}	111.6020	0.000	1	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	111.0323	0.335	3	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	111.2424	0.210	7	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|H<1>,3|O<2>}	111.1520	0.000	1	111.1492	0.137	22	110.3789	7.364	33	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.5850	0.000	1	110.5850	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.9950	0.000	1	109.9950	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.2472	0.452	5	110.2472	0.205	5	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7752	0.361	4	110.7752	0.130	4	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H){1|H<1>,2|C<3>,2|C<4>}	108.5340	0.000	1	108.5340	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.3020	0.000	1	111.1193	0.284	3	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.5370	0.000	1	111.1193	0.284	3	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.5190	0.000	1	111.1193	0.284	3	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.6910	0.000	1	111.6910	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.7440	0.000	1	111.7440	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7920	0.000	1	111.1007	0.219	29	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.6160	0.000	1	111.1007	0.219	29	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.8075	0.039	2	111.1007	0.219	29	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	112.1940	0.000	1	111.1007	0.219	29	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.0060	0.000	1	111.1007	0.219	29	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.1173	0.448	23	111.1007	0.219	29	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	111.1215	0.059	2	111.1215	0.003	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	110.5300	0.000	1	110.5300	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,6]C[5]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,6]C[5]H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	111.0430	0.000	1	111.0430	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.1400	0.000	1	111.1400	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.5090	0.000	1	110.2841	1.915	8	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.2520	1.492	7	110.2841	1.915	8	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	110.2870	0.000	1	110.2870	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|N<3>,2|C<4>,2|H<1>}	109.7550	0.000	1	109.7550	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	107.7460	0.000	1	109.2255	4.378	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	110.7050	0.000	1	109.2255	4.378	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){3|H<1>,5|C<4>}	109.1785	0.228	2	109.6447	0.678	3	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,5|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<3>,3|C<4>,3|H<1>}	110.5770	0.000	1	109.6447	0.678	3	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.0450	0.410	2	110.3741	0.220	7	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,7|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	109.7060	0.000	1	110.3741	0.220	7	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<2>,7|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>}	110.7185	0.172	2	110.3741	0.220	7	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<2>,7|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.6930	0.133	2	110.3741	0.220	7	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	110.5377	1.545	7	110.1873	2.286	9	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){2|C<4>,3|H<1>}	108.9610	0.325	2	110.1873	2.286	9	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	111.1110	0.000	1	111.3585	0.123	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	111.6060	0.000	1	111.3585	0.123	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	110.8430	0.000	1	110.8430	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){3|C<4>}	110.7880	0.000	1	110.7880	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H){2|C<3>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	109.8760	0.109	8	109.8760	0.012	8	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	111.1370	0.000	1	111.1370	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|N<3>,3|C<3>,3|H<1>}	111.0910	0.000	1	111.0910	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H){1|C<3>,1|H<1>,4|C<4>}	111.3880	0.000	1	111.3880	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.9180	0.000	1	110.9180	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C){2|C<4>,3|H<1>,3|O<2>}	110.7190	0.000	1	110.7190	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H){2|C<4>,3|H<1>,3|O<2>}	111.3230	0.000	1	111.3230	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	111.0230	0.000	1	110.6020	0.354	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	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>}	110.1810	0.000	1	110.6020	0.354	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]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>}	111.1320	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	110.1040	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]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>}	111.1750	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|H<1>,3|C<4>,3|O<2>}	110.7590	1.342	4	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	110.7435	0.514	4	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	110.5820	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	110.6610	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	111.0920	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	110.9628	0.496	6	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	111.8940	0.000	1	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	110.3484	2.789	14	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	110.6172	0.340	4	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|O<2>,2|C<4>,2|O<3>,3|H<1>}	110.9755	0.388	2	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	111.2810	0.278	3	110.7174	2.673	44	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	110.9630	0.344	3	110.9630	0.118	3	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	111.1680	0.264	2	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.8070	0.014	2	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	110.9850	0.000	1	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.1450	0.000	1	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	110.8310	0.000	1	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.1010	0.000	1	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<4>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	111.6363	0.541	3	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.7427	0.854	50	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	111.0850	0.208	2	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	110.9915	0.743	2	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	110.6370	0.136	2	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,3|H<1>}	111.1355	0.326	2	110.8370	0.592	69	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<4>,3|H<1>,3|O<2>}	111.1950	0.000	1	111.1950	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	110.4810	0.356	2	110.7878	0.198	4	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	111.0945	0.299	2	110.7878	0.198	4	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	111.0360	0.740	2	111.0360	0.547	2	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.1780	0.000	1	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.1615	0.497	8	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.4390	0.000	1	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7920	0.027	2	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.4280	0.610	2	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.1810	0.000	1	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.8733	0.273	3	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.2440	0.000	1	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.9011	0.721	7	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.1170	0.000	1	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<4>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.5630	0.497	3	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.6993	0.477	4	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.1930	0.000	1	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.9283	0.598	79	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7825	0.695	4	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.9860	0.767	2	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.8770	0.385	5	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.1645	0.286	2	110.9343	0.324	127	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	110.5480	0.000	1	110.5480	0.000	1	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>}	111.0397	0.152	7	111.0397	0.023	7	110.7983	0.797	360	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:Se[5]-4:	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(Se[5]O[5]OO)	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H){4|O<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(Se[5]O[5]OO){1|Se<4>,1|H<1>,1|O<2>}	110.3570	0.023	2	110.3570	0.001	2	110.3570	0.001	2	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	111.0580	0.000	1	111.0580	0.000	1	111.1413	0.147	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	111.2943	0.343	4	111.2943	0.118	4	111.1413	0.147	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	110.6130	0.000	1	110.6130	0.000	1	111.1413	0.147	6	110.7306	1.311	457	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[3x5,6]C[5]O[5])	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>}	H(C[5,5]C[3x5,6]C[5]O[5])	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>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5,6,6]C[5]O[5])	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>}	H(C[5,5]C[5,5,6,6]C[5]O[5])	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>}	112.4035	0.269	2	112.3107	0.062	3	112.2167	0.077	4	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5,6,6]C[5]O[5])	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>}	H(C[5,5]C[5,5,6,6]C[5]O[5])	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>}	112.1250	0.000	1	112.3107	0.062	3	112.2167	0.077	4	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5,6,6]C[5]O[5])	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>}	H(C[5,5]C[5,5,6,6]C[5]O[5])	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>}	111.9350	0.000	1	111.9350	0.000	1	112.2167	0.077	4	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	113.3125	0.127	2	113.3125	0.016	2	113.3125	0.016	2	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	113.4195	0.131	2	113.4195	0.017	2	113.4195	0.017	2	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)2{2|C<3>,6|C<4>}	110.9840	0.339	5	110.9840	0.115	5	110.9840	0.115	5	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|O<2>,4|H<1>}	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	111.9731	1.087	15	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.9780	0.000	1	111.9780	0.000	1	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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]C[5]H)(O[5]N[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.2725	0.202	2	112.2725	0.041	2	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.7300	0.000	1	111.7300	0.000	1	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	108.1997	2.603	3	108.1418	4.531	4	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[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]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	107.9680	0.000	1	108.1418	4.531	4	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.4210	0.000	1	110.4628	4.234	6	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.6355	0.271	2	110.4628	4.234	6	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.8590	0.580	2	110.4628	4.234	6	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	106.3670	0.000	1	110.4628	4.234	6	110.2569	5.093	14	110.2569	5.093	14	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3x5]-4:C[5,5a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H)	H(C[5,5]C[5,5a]C[3x5]O[5])	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5a]C[3x5]O[5])	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[3x5]C[5]O[5])	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>}	H(C[5,5]C[3x5]C[5]O[5])	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>}	110.9990	0.030	2	110.9990	0.001	2	111.0040	0.001	3	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[3x5]C[5]O[5])	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>}	H(C[5,5]C[3x5]C[5]O[5])	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>}	111.0140	0.000	1	111.0140	0.000	1	111.0040	0.001	3	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	H(C[5,5]C[3x5]N[5]O[5])	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5,5]C[3x5]N[5]O[5])	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,1|S<4>,6|C<3>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,6a]O[5])	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO)	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,6a]O[5])	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO){1|O<2>,2|C<4>,3|C<3>}	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5,6]C[5]O[5])	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>}	H(C[5,5]C[5,5,6]C[5]O[5])	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>}	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.0890	0.000	1	111.0890	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	113.2113	0.218	4	113.2113	0.047	4	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.2833	0.349	3	111.2833	0.122	3	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.7210	0.000	1	110.7210	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,3|C<4>}	111.8000	0.000	1	111.8000	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.5620	0.000	1	111.2760	1.020	2	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.9900	0.000	1	111.2760	1.020	2	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	112.3430	0.000	1	112.3430	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.0980	0.000	1	112.0980	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.3830	0.000	1	111.9640	0.351	2	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.5450	0.000	1	111.9640	0.351	2	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.2790	0.137	2	112.2790	0.019	2	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	109.3957	1.560	3	109.3957	2.433	3	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	107.9440	2.916	2	107.9440	8.504	2	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.3515	0.747	4	111.7498	1.235	6	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.5465	1.611	2	111.7498	1.235	6	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	112.5350	0.000	1	112.5350	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	111.3190	0.000	1	111.3190	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	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)	H(C[5,5]C[5,5]C[5]O[5])	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>}	H(C[5,5]C[5,5]C[5]O[5])	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>}	110.4280	0.000	1	110.4280	0.000	1	111.3950	2.507	32	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|H<1>,2|F<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	111.1310	0.000	1	111.2921	0.030	7	111.2921	0.030	7	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|P<3>,2|F<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	111.3705	0.045	2	111.2921	0.030	7	111.2921	0.030	7	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:B[5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|S<2>,2|F<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	111.2933	0.215	4	111.2921	0.030	7	111.2921	0.030	7	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.5510	0.000	1	110.5510	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.0170	0.000	1	110.0170	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.7120	0.000	1	110.7120	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	110.7270	0.000	1	110.7270	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.7082	0.274	4	110.7082	0.075	4	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	111.0070	0.269	5	111.0070	0.072	5	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.5190	0.000	1	110.5190	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	111.1440	0.000	1	111.1440	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H){1|O<1>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|N<2>,2|C<3>,3|H<1>}	111.9440	0.000	1	111.9440	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	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>}	110.5900	0.000	1	110.5900	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	108.0010	0.000	1	108.0010	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	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>}	106.8790	0.000	1	106.8790	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	112.0490	0.000	1	112.0490	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.7530	0.000	1	110.7530	0.000	1	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.8150	0.091	2	110.8150	0.008	2	110.5819	1.213	23	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	H(C[5,5]C[5,6]N[3x5]O[5])	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H)	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	H(C[5,5]C[5,6]N[3x5]O[5])	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H){3|O<2>,4|H<1>,5|C<4>}	110.7553	0.105	3	110.7553	0.011	3	110.7553	0.011	3	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:3:2:1:	4:	4:4:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	H(C[5,5]C[5,6a]N[3x5]O[5])	O[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,6a]N[3x5]O[5])	O[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	111.0434	1.636	74	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	N[5,5]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5,5]-3:	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[5])	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H){3|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[5]){5|C<4>,5|H<1>}	109.6205	0.047	2	109.6205	0.002	2	109.6205	0.002	2	110.0287	5.358	6	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(N[5]C[5]C)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	110.0287	5.358	6	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	110.0287	5.358	6	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){3|C<3>,3|C<4>,3|H<1>}	111.7830	0.000	1	111.7830	0.000	1	112.0315	0.124	2	110.0287	5.358	6	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]O[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]O[5]CH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.2800	0.000	1	112.2800	0.000	1	112.0315	0.124	2	110.0287	5.358	6	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[3x5]O[5])	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C)	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5,5]C[3,5]C[3x5]O[5])	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	108.5880	0.000	1	108.5880	0.000	1	111.2057	3.398	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|F<1>,1|N<3>,7|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){1|F<1>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	110.9900	0.000	1	110.2250	1.170	2	111.2057	3.398	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|N<3>,8|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	109.4600	0.000	1	110.2250	1.170	2	111.2057	3.398	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5])	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	112.7825	0.196	2	112.7825	0.038	2	111.2057	3.398	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|F<1>,3|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	112.6310	0.000	1	112.6310	0.000	1	111.2057	3.398	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[3,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H)	H(C[5,5]C[3x5,6]C[3,5]O[5])	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H){4|H<1>,6|C<4>}	H(C[5,5]C[3x5,6]C[3,5]O[5])	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5,6]C[5]O[5])	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5,6]C[5]O[5])	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	110.5160	0.000	1	111.2260	1.008	2	111.2260	1.008	2	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5,6]C[5]O[5])	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5,6]C[5]O[5])	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	111.9360	0.000	1	111.2260	1.008	2	111.2260	1.008	2	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5,5]O[5])	O[5](C[5,5]C[3x5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>}	H(C[5,5]C[3x5]C[5,5]O[5])	O[5](C[5,5]C[3x5]C[5,5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	113.3450	0.000	1	113.3450	0.000	1	113.3450	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,3|O<2>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	113.3970	0.000	1	113.3970	0.000	1	113.3970	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,5|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO){1|C<3>,2|C<4>,4|H<1>}	112.1540	0.000	1	112.1540	0.000	1	111.3630	1.543	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	112.6500	0.000	2	112.6500	0.000	2	111.3630	1.543	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.2580	0.000	1	110.2413	0.000	3	111.3630	1.543	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.2330	0.000	2	110.2413	0.000	3	111.3630	1.543	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[4,5,5]C[5]O[5])	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[4,5,5]C[5]O[5])	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH){1|C<3>,3|C<4>,3|H<1>}	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[4,5]C[5,5]O[5])	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[4,5]C[5,5]O[5])	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[4,5]C[4,5,6]C[4]O)(C[5,5]C[5,5,6]C[5]H)	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[4,5]C[4,5,6]C[4]O)(C[5,5]C[5,5,6]C[5]H){1|O<2>,3|C<4>,5|H<1>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CC)	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.5390	0.463	7	111.5390	0.214	7	111.4236	0.197	10	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	111.4850	0.000	1	111.4850	0.000	1	111.4236	0.197	10	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.9890	0.103	2	110.9890	0.011	2	111.4236	0.197	10	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,6]C[6,6a]O[5,6]N)(C[5,5]C[5,5,6]C[5]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|N<3>}	H(C[5,5]C[5,5,6]C[5]O[5])	O[5](C[5,6]C[6,6a]O[5,6]N)(C[5,5]C[5,5,6]C[5]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<3>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	113.0602	0.297	4	113.0602	0.088	4	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[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[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.6350	0.000	1	112.6350	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,6|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.0460	0.591	2	112.0460	0.349	2	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HH){2|C<4>,2|O<2>,3|H<1>}	111.3960	0.000	1	111.3960	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HN)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HN){2|C<4>,2|O<2>,3|H<1>}	112.9560	0.000	1	112.9560	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.9080	0.000	1	111.9080	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.5390	0.000	1	112.6425	0.021	2	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){5|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.7460	0.000	1	112.6425	0.021	2	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,1|H<1>,3|O<2>}	112.7500	0.000	1	112.7500	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.9590	0.000	1	112.9590	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.1615	0.241	2	112.0877	0.045	3	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<7>,1|H<1>,6|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	111.9400	0.000	1	112.0877	0.045	3	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.7920	0.000	1	112.7920	0.000	1	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.8950	0.000	1	110.8144	8.144	7	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.2635	1.381	2	110.8144	8.144	7	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,2|H<1>,6|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	104.8180	0.000	1	110.8144	8.144	7	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	112.7410	0.000	1	110.8144	8.144	7	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.6910	0.000	1	110.8144	8.144	7	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,5]C[5,5]2O[5])	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	112.0290	0.000	1	110.8144	8.144	7	112.0391	2.856	25	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.8120	0.000	1	112.8120	0.000	1	112.6750	0.024	4	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.6300	0.000	1	112.6300	0.000	1	112.6750	0.024	4	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.4740	0.000	1	112.6290	0.048	2	112.6750	0.024	4	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.7840	0.000	1	112.6290	0.048	2	112.6750	0.024	4	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[4,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[4,5]C[4,5]C[4]C)(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[4,5]C[4,5]C[4]C)(C[5,5]C[5,5]C[5]H){3|H<1>,6|C<4>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C){1|C<3>,2|H<1>,5|C<4>}	112.3690	0.000	1	112.3690	0.000	1	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){5|C<4>,6|H<1>}	110.9480	0.113	2	110.9480	0.013	2	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C){1|C<3>,2|H<1>,5|C<4>}	111.4557	0.166	6	111.4557	0.028	6	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){1|N<3>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){2|O<2>,3|C<4>,3|H<1>}	112.1360	0.000	1	112.1360	0.000	1	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	110.6880	0.000	1	110.6880	0.000	1	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){2|C<4>,2|H<1>,4|O<2>}	110.6730	0.000	1	110.6730	0.000	1	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C){1|C<4>,3|C<3>,5|H<1>}	110.3550	0.000	1	110.3550	0.000	1	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]2H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){2|C<3>,2|C<4>,7|H<1>}	110.2725	0.600	2	110.2725	0.360	2	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	111.2800	1.302	2	111.2800	1.696	2	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	112.7065	0.291	2	112.7065	0.084	2	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	110.4280	0.000	1	110.4280	0.000	1	111.2899	0.685	20	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	112.6800	0.000	1	112.6800	0.000	1	111.7663	0.914	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|O<2>,5|H<1>}	112.0430	0.000	1	112.0430	0.000	1	111.7663	0.914	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	110.6205	0.422	2	110.6205	0.178	2	111.7663	0.914	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5]){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	111.9640	0.000	1	111.9640	0.000	1	111.7663	0.914	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	112.6700	0.000	1	112.6700	0.000	1	111.7663	0.914	6	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7930	0.000	1	109.7930	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	112.5565	0.214	2	112.5565	0.046	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.4350	0.000	1	111.4350	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	111.3260	0.064	2	111.3260	0.004	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){2|C<4>,5|H<1>}	104.5480	0.000	1	104.5480	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.9850	0.000	1	112.9850	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.3400	0.000	1	111.3400	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.5195	0.764	2	111.6163	0.559	7	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.2450	0.000	1	111.6163	0.559	7	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.7310	0.000	1	111.6163	0.559	7	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.8730	0.000	1	111.6163	0.559	7	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	112.9380	0.000	1	111.6163	0.559	7	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	111.4880	0.000	1	111.6163	0.559	7	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<4>,3|H<1>}	111.9510	0.000	1	111.9510	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.9180	0.422	5	111.9180	0.178	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.5340	0.000	1	111.5340	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H){1|O<2>,4|C<4>,5|H<1>}	109.4540	0.000	1	109.4540	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){3|C<4>,4|H<1>}	110.3250	0.000	1	110.3250	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CN)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CN){3|C<4>,4|H<1>}	110.0940	0.000	1	110.0940	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H){1|C<3>,3|H<1>,4|C<4>}	112.1555	0.202	2	112.1555	0.041	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	112.5850	0.088	2	112.5850	0.008	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO){1|C<3>,2|C<4>,2|H<1>}	112.4430	0.000	1	112.4430	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.6370	0.000	1	111.6370	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	112.0037	0.328	3	111.6250	0.645	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	110.4890	0.000	1	111.6250	0.645	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]O[5]CH)(O[5]C[5])(H){1|N<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.0590	0.000	1	111.0590	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,3|H<1>,4|C<3>}	111.7160	1.554	2	111.5018	0.965	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){4|C<3>,4|H<1>}	111.2875	0.544	2	111.5018	0.965	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,3|H<1>}	111.0825	0.172	2	111.0825	0.030	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.6760	0.000	1	112.6760	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.1360	0.000	1	112.1360	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.7910	0.000	1	110.0690	0.405	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	109.7080	0.165	2	110.0690	0.405	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.5800	0.000	1	113.5800	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.1710	0.020	2	112.1710	0.000	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.7630	0.000	1	110.7630	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	111.5340	0.000	1	111.5340	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	111.5740	0.000	1	111.5740	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	112.1450	0.000	1	112.1450	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.8732	0.504	13	111.8732	0.254	13	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<2>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	112.7040	0.000	1	112.7040	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HN)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	112.4870	0.000	1	112.4870	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.2630	2.745	3	112.2630	7.537	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	111.7560	0.000	1	111.7560	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	114.4570	0.000	1	111.3865	18.856	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.3160	0.000	1	111.3865	18.856	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CO)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|O<2>,3|C<4>}	111.9450	0.000	1	111.9450	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[3]N[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.7940	0.000	1	110.7940	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[3]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.9210	0.109	2	112.9210	0.012	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	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)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	113.4210	0.000	1	112.6167	0.610	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	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)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.2145	0.500	2	112.6167	0.610	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.2120	0.000	1	112.2120	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	111.8430	0.000	1	111.9630	0.029	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	112.0830	0.000	1	111.9630	0.029	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<2>}	111.7740	0.000	1	111.7740	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	111.8890	0.000	1	111.8890	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	113.1060	0.000	1	112.5173	0.297	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	112.4157	0.522	6	112.5173	0.297	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	112.5280	0.781	2	112.5173	0.297	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	111.7600	0.000	1	111.7600	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	110.4600	0.000	1	110.4600	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,3|H<1>,3|O<2>}	113.1770	0.000	1	113.1770	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.5820	0.000	1	111.0694	2.096	21	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<2>}	110.0670	0.000	1	111.0694	2.096	21	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	111.8890	0.000	1	111.0694	2.096	21	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,3|H<1>,3|O<2>}	113.0590	0.000	1	111.0694	2.096	21	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,3|H<1>,3|O<2>}	110.9998	1.547	16	111.0694	2.096	21	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,4|O<2>}	110.8640	0.000	1	111.0694	2.096	21	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){1|C<3>,3|H<1>,3|O<2>}	111.7270	0.000	1	111.7270	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.8890	0.000	1	111.8094	0.688	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.8190	0.468	2	111.8094	0.688	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.3000	0.000	1	111.8094	0.688	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.3200	0.000	1	111.8094	0.688	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.0345	0.934	4	111.8094	0.688	9	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|P<3>,3|H<1>}	110.7963	0.893	4	110.8153	0.526	6	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|P<4>,3|H<1>}	110.8535	0.486	2	110.8153	0.526	6	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H){2|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,4|N<3>}	112.3182	0.544	12	112.3182	0.296	12	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	111.4409	0.574	8	111.4409	0.329	8	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]N[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.7283	0.144	3	112.7283	0.021	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,4|O<2>}	110.9200	0.000	1	110.9200	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.8280	0.000	1	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.5480	0.000	1	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.1460	0.623	4	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.5860	0.000	1	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.8987	0.557	3	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.8595	0.750	2	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|S<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.3980	0.000	1	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.1915	0.304	4	112.0662	0.431	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.8370	0.204	2	112.8370	0.041	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.8815	0.066	2	112.1002	0.165	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.9415	0.280	8	112.1002	0.165	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.1466	0.371	5	112.1002	0.165	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.5660	0.000	1	112.1002	0.165	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.1090	0.000	1	112.1002	0.165	17	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CO)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	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|N<3>,1|O<2>}	112.4403	0.767	3	112.4403	0.588	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	111.3220	0.693	4	112.0969	0.467	13	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	112.2935	0.074	2	112.0969	0.467	13	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	112.5400	0.361	5	112.0969	0.467	13	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	112.1840	0.000	1	112.0969	0.467	13	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	112.5010	0.000	1	112.0969	0.467	13	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.0220	1.218	3	112.0220	1.484	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	111.7302	0.111	4	111.7302	0.012	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.7055	0.385	2	112.7055	0.149	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.8910	0.000	1	112.2422	0.603	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.3593	0.907	3	112.2422	0.603	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.5542	0.731	4	112.6502	0.447	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.0340	0.000	1	112.6502	0.447	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[6a]O[5]C)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	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|N<3>,1|O<2>}	111.2075	0.463	2	111.2075	0.215	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	111.7870	0.000	1	111.7870	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[6a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.1620	0.000	1	112.7045	0.589	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[6a]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.2470	0.000	1	112.7045	0.589	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]BrC)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.6610	0.000	1	114.6610	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	112.6260	0.000	1	112.6260	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.2195	0.476	10	112.3200	0.377	27	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.2453	0.632	10	112.3200	0.377	27	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.3590	0.693	2	112.3200	0.377	27	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.8098	0.911	4	112.3200	0.377	27	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.0360	0.000	1	112.3200	0.377	27	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.2830	0.000	1	112.2830	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,3|C<3>,3|H<1>}	112.2085	2.863	2	112.2085	8.197	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.7790	0.000	1	112.2154	1.174	10	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.1435	1.150	2	112.2154	1.174	10	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.0710	0.000	1	112.2154	1.174	10	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.3920	1.662	4	112.2154	1.174	10	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	111.7245	0.026	2	112.2154	1.174	10	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.2030	0.880	3	112.2030	0.774	3	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.4710	0.078	2	112.1806	0.413	18	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.1442	0.675	16	112.1806	0.413	18	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	112.0860	0.000	1	112.0860	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	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>,2|O<2>}	112.8850	0.000	1	112.8850	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,1|O<3>,2|C<4>}	112.7010	0.000	1	112.9536	0.029	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.9727	0.078	3	112.9536	0.029	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	113.1490	0.000	1	112.9536	0.029	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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[4,5]HO)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.9570	0.000	1	112.9570	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]2O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.3740	0.000	1	112.3740	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.6742	0.290	5	112.6742	0.084	5	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.4790	0.000	1	112.4790	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.0320	0.494	4	112.0320	0.244	4	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	113.0345	0.356	2	113.0345	0.127	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.3460	0.590	2	112.3460	0.348	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	113.0987	0.737	3	112.8895	0.282	6	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HN)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	112.6803	0.170	3	112.8895	0.282	6	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.9019	0.505	8	112.6906	0.528	98	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.6010	0.761	2	112.6906	0.528	98	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.5812	0.570	4	112.6906	0.528	98	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	112.8828	0.868	4	112.6906	0.528	98	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.7612	0.652	78	112.6906	0.528	98	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HO)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	111.0170	1.216	2	112.6906	0.528	98	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	112.1240	0.000	1	112.1240	0.000	1	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	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]HS)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	113.0165	0.238	2	113.0165	0.057	2	112.1561	1.030	430	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:P[5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(P[5]N[5]BC)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(P[5]N[5]BC){2|C<3>,4|H<1>}	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:S[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(S[5]O[5]OO)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H){1|H<1>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(S[5]O[5]OO){2|C<4>,3|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,6|H<1>}	110.5717	0.559	3	110.4847	0.239	4	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){5|C<4>,7|H<1>}	110.2240	0.000	1	110.4847	0.239	4	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|O<1>,4|H<1>,5|C<4>}	109.8725	0.828	2	110.2953	0.147	27	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){5|C<4>,6|H<1>}	110.2860	0.501	2	110.2953	0.147	27	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,5|H<1>}	110.3310	0.000	1	110.2953	0.147	27	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){5|C<4>,6|H<1>}	110.3330	0.344	22	110.2953	0.147	27	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]N[5])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]N[5])(C[5,5]C[5,5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	111.6135	0.535	4	111.6135	0.286	4	110.4676	0.337	35	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	111.9813	0.292	4	111.9813	0.085	4	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	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>,1|O<2>}	113.0960	0.000	1	113.0960	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.7220	0.000	1	112.7220	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.4050	0.000	1	111.4050	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.0390	0.000	1	113.0390	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO){1|C<4>,2|O<2>,4|H<1>}	112.3970	0.000	1	112.3970	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.8230	0.000	1	112.8230	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	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>,2|O<2>}	112.7743	0.225	6	112.7930	0.043	8	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	112.8490	0.194	2	112.7930	0.043	8	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	113.0935	0.162	2	113.0022	0.483	24	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	113.3162	0.891	10	113.0022	0.483	24	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.5938	0.730	4	113.0022	0.483	24	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	112.7911	0.213	8	113.0022	0.483	24	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	112.5905	0.503	2	112.5905	0.253	2	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	113.7430	0.075	2	113.7430	0.006	2	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	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>,2|O<2>}	113.4380	0.000	1	113.4380	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	112.5513	1.022	3	112.5513	1.044	3	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	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]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.8803	0.106	3	111.8803	0.011	3	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.5940	0.000	1	111.5940	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.3520	0.000	1	113.3520	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	114.0240	0.000	1	114.0240	0.000	1	112.7888	0.513	56	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:S[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(S[5]O[5]OO)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H){2|C<4>,2|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	O[5](C[5,5]C[5,5]C[5,6]H)(S[5]O[5]OO){1|H<1>,4|C<4>}	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	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>,2|O<2>}	111.3580	0.000	1	111.3580	0.000	1	111.9580	0.720	2	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.5580	0.000	1	112.5580	0.000	1	111.9580	0.720	2	112.0193	1.328	616	111.4126	1.787	1211	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6,6]	4:2:2:1:	4:	4:4:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	H(C[5,6,6]C[4,6,6]O[5,6,6]O[5])	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	H(C[5,6,6]C[4,6,6]O[5,6,6]O[5])	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H){1|C<4>,1|O<2>,4|H<1>}	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	106.8755	3.691	2	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6,6]	4:2:4:1:	4:	4:4:	C[4,6,6]-4:O[5,6,6]-2:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H)	H(C[5,6,6]C[4,6,6]O[5,6,6]C[5])	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H){1|C<4>,1|F<1>,2|H<1>}	H(C[5,6,6]C[4,6,6]O[5,6,6]C[5])	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H){1|C<4>,1|O<2>,4|H<1>}	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	106.8755	3.691	2	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]O[6])	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6,6]O[5,6]O[6])	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H){2|H<1>,4|C<3>}	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	111.1393	0.236	3	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H)	H(C[5,6,6]C[5,6,6]O[5,6]O[6,6])	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]O[5,6]O[6,6])	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.1393	0.236	3	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H)	H(C[5,6,6]Se[6,6]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]H)	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]Se[6,6]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]H){2|H<1>,3|C<4>}	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	111.1393	0.236	3	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]N[6])	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]N[6])	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H){1|S<4>,2|C<4>,5|H<1>}	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,5,3x6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	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[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	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>}	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	108.2420	0.404	6	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.9770	0.031	2	108.5550	0.281	4	108.3634	0.394	5	108.2420	0.404	6	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.1330	0.361	2	108.5550	0.281	4	108.3634	0.394	5	108.2420	0.404	6	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]C[5,6]O){1|O<2>,4|C<4>,4|H<1>}	107.5970	0.000	1	107.5970	0.000	1	108.3634	0.394	5	108.2420	0.404	6	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,6,6]-4:	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)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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>}	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	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]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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){3|C<4>,6|H<1>}	111.3780	0.057	4	111.3780	0.003	4	111.4393	0.014	6	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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){3|C<4>,6|H<1>}	111.4700	0.000	1	111.5620	0.017	2	111.4393	0.014	6	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	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){3|C<4>,6|H<1>}	111.6540	0.000	1	111.5620	0.017	2	111.4393	0.014	6	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C){2|C<4>,2|O<2>,3|H<1>}	110.4990	0.322	2	110.4990	0.104	2	110.4990	0.104	2	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	H(C[5,6,6]C[5,5,6]C[6,6]O[5,6])	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]O[5,6])	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]H){2|O<2>,4|H<1>,6|C<4>}	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[3x5,6]C[3x5,6]C[5,6,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[3x5,6]C[3x5,6]C[5,6,6]C[5])(C[5,6,6]C[5,6]C[6,6]H){5|H<1>,7|C<4>}	111.3780	0.000	1	111.3780	0.000	1	111.3210	0.006	2	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H){5|H<1>,7|C<4>}	111.2640	0.000	1	111.2640	0.000	1	111.3210	0.006	2	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){1|C<3>,2|C<4>,6|H<1>}	110.9140	0.000	1	110.9795	0.009	2	110.9795	0.009	2	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){3|C<4>,6|H<1>}	111.0450	0.000	1	110.9795	0.009	2	110.9795	0.009	2	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,4|H<1>}	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.8544	1.543	15	110.1881	2.719	26	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	H(C[5,6,6]C[4,6,6]O[5,6,6]O[5])	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	H(C[5,6,6]C[4,6,6]O[5,6,6]O[5])	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.6395	0.018	2	110.0460	1.057	3	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	108.8590	0.000	1	110.0460	1.057	3	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.5735	0.552	2	110.4350	2.379	3	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	112.1580	0.000	1	110.4350	2.379	3	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.4505	0.028	2	110.6095	0.054	4	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	110.7685	0.247	2	110.6095	0.054	4	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	111.1150	0.000	1	111.1150	0.000	1	110.4542	0.807	11	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.4775	0.049	2	109.4775	0.002	2	109.1248	2.597	6	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	108.9485	2.050	4	108.9485	4.203	4	109.1248	2.597	6	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H){1|H<1>,3|C<3>,3|C<4>}	107.2350	0.000	1	107.2350	0.000	1	109.5365	1.643	8	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.2940	0.000	1	109.8653	0.908	7	109.5365	1.643	8	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.3490	0.000	1	109.8653	0.908	7	109.5365	1.643	8	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	107.9090	0.000	1	109.8653	0.908	7	109.5365	1.643	8	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.3762	0.067	4	109.8653	0.908	7	109.5365	1.643	8	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,5]-4:C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	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[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	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>}	110.5740	0.000	1	110.5740	0.000	1	110.4843	0.023	4	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	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[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	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>}	110.4395	0.241	2	110.4543	0.030	3	110.4843	0.023	4	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	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[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	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>}	110.4840	0.000	1	110.4543	0.030	3	110.4843	0.023	4	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	111.6340	0.000	1	111.6340	0.000	1	108.6845	17.399	2	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	105.7350	0.000	1	105.7350	0.000	1	108.6845	17.399	2	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	100.5080	0.000	1	100.5080	0.000	1	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	111.7195	0.131	2	111.7195	0.017	2	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	110.9335	0.213	2	110.9335	0.045	2	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.6060	0.000	1	117.6060	0.000	1	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.1220	0.153	2	111.1220	0.023	2	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.1575	0.515	4	110.1575	0.265	4	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.3535	0.443	2	109.3535	0.197	2	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<4>,2|H<1>,3|C<3>}	111.6960	0.000	1	111.6960	0.000	1	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.8080	0.023	2	110.2390	0.840	5	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.8597	1.068	3	110.2390	0.840	5	110.3946	8.608	20	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	B[5,5]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	108.3670	0.163	2	108.3670	0.026	2	108.3670	0.026	2	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5]){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	109.2550	0.000	1	109.2550	0.000	1	109.1630	0.017	2	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.0710	0.000	1	109.0710	0.000	1	109.1630	0.017	2	109.9398	4.213	58	109.9585	4.162	59	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<1>,2|C<4>,3|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.7494	0.265	33	110.7494	0.265	33	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	110.7163	0.318	3	110.7163	0.101	3	110.7494	0.265	33	110.7494	0.265	33	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,4|H<1>}	110.9927	0.199	13	110.9927	0.040	13	110.7494	0.265	33	110.7494	0.265	33	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,4|H<1>}	110.4606	0.691	13	110.5538	0.428	16	110.7494	0.265	33	110.7494	0.265	33	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	110.8200	0.000	1	110.5538	0.428	16	110.7494	0.265	33	110.7494	0.265	33	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	111.0265	0.238	2	110.5538	0.428	16	110.7494	0.265	33	110.7494	0.265	33	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:3:1:	4:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.3140	0.028	4	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:3:1:	4:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	112.4680	0.000	1	112.4680	0.000	1	112.3707	0.023	3	112.3140	0.028	4	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:3:1:	4:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	112.4480	0.000	1	112.3220	0.032	2	112.3707	0.023	3	112.3140	0.028	4	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:3:1:	4:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	112.1960	0.000	1	112.3220	0.032	2	112.3707	0.023	3	112.3140	0.028	4	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:4:1:	4:	4:4:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	111.4503	0.748	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:4:1:	4:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.7190	0.000	1	111.7190	0.000	1	111.9340	0.092	2	111.4503	0.748	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:3:4:1:	4:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.1490	0.000	1	112.1490	0.000	1	111.9340	0.092	2	111.4503	0.748	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	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>}	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	109.8687	0.125	6	109.8687	0.016	6	109.8687	0.016	6	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H){2|C<4>,2|H<1>,3|O<2>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	106.6680	0.000	1	106.6680	0.000	1	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	110.6610	0.051	2	110.6496	0.005	9	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	110.6463	0.078	7	110.6496	0.005	9	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	110.0100	0.000	1	109.9040	0.022	2	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	109.7980	0.000	1	109.9040	0.022	2	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	110.3927	0.225	3	110.3927	0.050	3	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.3170	0.000	1	110.3170	0.000	1	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	110.2205	0.071	2	110.2034	0.015	5	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.1920	0.162	3	110.2034	0.015	5	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	110.2395	0.066	2	110.2386	0.125	10	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.2287	0.499	4	110.2386	0.125	10	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.2810	0.427	3	110.2386	0.125	10	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.1490	0.000	1	110.2386	0.125	10	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	110.5020	0.000	1	110.5020	0.000	1	110.2413	0.516	32	110.1688	0.442	41	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[4,5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[4,5,5,6]C[4,5,5]C[5,6a]C[4,6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[4,5,5,6]C[4,5,5]C[5,6a]C[4,6])(C[5,6]C[5]C[6]H){1|C<4>,4|C<3>,4|H<1>}	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|O<1>,5|C<4>,5|H<1>}	110.7285	0.265	2	110.7285	0.070	2	111.0294	0.104	5	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5]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]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	111.0950	0.000	1	111.2300	0.021	3	111.0294	0.104	5	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5]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]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.2100	0.000	1	111.2300	0.021	3	111.0294	0.104	5	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5]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]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	111.3850	0.000	1	111.2300	0.021	3	111.0294	0.104	5	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.2410	0.000	1	111.2410	0.000	1	111.1680	0.022	4	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]O[5,6]C[5]C[6])	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[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	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>,1|O<1>,4|C<4>,4|H<1>}	110.9480	0.000	1	110.9480	0.000	1	111.1680	0.022	4	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	111.2415	0.016	2	111.2415	0.000	2	111.1680	0.022	4	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.3650	0.000	1	110.9125	0.410	2	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.4600	0.000	1	110.9125	0.410	2	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{3|C<3>,5|H<1>}	110.7035	0.207	2	110.7035	0.043	2	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.0440	0.000	1	111.0440	0.000	2	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.0440	0.000	1	111.0440	0.000	2	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	112.0985	0.176	2	112.0985	0.031	2	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	111.6583	0.125	3	111.6583	0.016	3	111.3175	0.331	11	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.2157	0.837	4	111.2157	0.700	4	111.2157	0.700	4	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.1770	0.000	1	111.1770	0.000	1	111.7683	0.267	3	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	112.0640	0.096	2	112.0640	0.009	2	111.7683	0.267	3	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	111.9950	0.000	1	111.9950	0.000	1	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	111.7900	0.000	1	111.7900	0.000	1	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]Br)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	112.0930	0.000	1	112.0930	0.000	1	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	112.1000	0.000	1	112.1000	0.000	1	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.9660	0.000	1	111.8065	0.051	2	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.6470	0.000	1	111.8065	0.051	2	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	112.3490	0.000	1	112.2625	0.015	2	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	112.1760	0.000	1	112.2625	0.015	2	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-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]N[5]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.8885	0.105	2	111.8885	0.011	2	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	112.2650	0.000	1	112.2650	0.000	1	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	111.8115	0.006	2	111.6830	0.091	4	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	111.2330	0.000	1	111.6830	0.091	4	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:3:1:	4:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	111.8760	0.000	1	111.6830	0.091	4	111.9260	0.074	15	111.4942	0.310	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:3:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:As[5,6]-3:	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(As[5,6]S[5]S[6])	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(As[5,6]S[5]S[6]){1|C<4>,1|O<2>,3|H<1>}	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){3|C<3>,3|C<4>,6|H<1>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,3|C<4>,8|H<1>}	110.6190	0.000	1	110.6190	0.000	1	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	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>,1|C<4>,1|N<3>,9|H<1>}	108.8670	0.000	1	108.8670	0.000	1	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]N[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]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,8|H<1>}	110.6690	0.000	1	110.5560	0.014	3	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]N[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]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){3|C<4>,8|H<1>}	110.4995	0.090	2	110.5560	0.014	3	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	110.4660	0.150	2	110.4660	0.022	2	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H){1|C<4>,1|N<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.6570	0.000	1	110.6570	0.000	1	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,4|C<4>,5|H<1>}	111.1470	0.004	2	111.1470	0.000	2	110.5037	0.400	10	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	109.6380	0.000	1	109.6380	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.1860	0.000	1	110.1860	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	110.2460	0.000	1	110.2460	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){2|C<4>,5|H<1>}	110.2400	0.000	1	110.2400	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	110.4415	0.245	2	110.4577	0.031	3	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	110.4900	0.000	1	110.4577	0.031	3	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,4|H<1>}	110.3840	0.000	1	110.3840	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	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|O<1>,5|H<1>}	110.2860	0.000	1	110.2860	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,7|H<1>}	110.2050	0.000	1	110.2050	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.2480	0.000	1	110.2480	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,4|H<1>}	108.2200	0.000	1	108.2200	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H){2|C<4>,2|H<1>,3|O<2>}	111.0060	0.000	1	111.0060	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O){1|C<3>,3|C<4>,3|H<1>}	111.2340	0.294	2	111.2340	0.087	2	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	111.3005	0.163	2	111.2241	0.011	11	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	111.2805	0.112	2	111.2241	0.011	11	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	111.1861	0.086	7	111.2241	0.011	11	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,4|H<1>}	110.9664	0.124	13	110.6287	0.862	26	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,4|H<1>}	110.2909	1.238	13	110.6287	0.862	26	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O){1|C<3>,1|C<4>,5|H<1>}	111.5010	0.064	3	111.5010	0.004	3	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	110.8030	0.310	3	108.0015	80.279	14	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	110.9230	0.083	2	108.0015	80.279	14	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.9167	0.153	3	108.0015	80.279	14	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.5998	0.698	4	108.0015	80.279	14	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	77.3174	0.000	1	108.0015	80.279	14	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	105.3000	0.000	1	108.0015	80.279	14	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	2:4:4:1:	4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C){1|N<3>,6|H<1>}	105.9960	0.000	1	105.9960	0.000	1	110.0976	17.083	70	110.1475	14.797	81	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]O[5])	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>}	H(C[5,6]C[5,6]O[5,6]O[5])	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>}	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	H(C[5,6]C[5,6a]O[5,6]O[6])	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]O[5,6]O[6])	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H){4|C<3>}	111.2580	0.099	2	111.2580	0.010	2	111.2580	0.010	2	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5a,6]O[5,6]O[5])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5a,6]O[5,6]O[5])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	111.7790	0.000	1	111.6070	0.037	4	111.6070	0.037	4	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5a,6]O[5,6]O[5])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5a,6]O[5,6]O[5])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,4|H<1>}	111.5497	0.189	3	111.6070	0.037	4	111.6070	0.037	4	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	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])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|C<3>,4|H<1>}	110.3490	0.024	4	110.4928	0.022	13	110.5759	0.117	14	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	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])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|H<1>,3|C<3>}	110.3190	0.000	1	110.4928	0.022	13	110.5759	0.117	14	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	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])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){1|H<1>,4|C<3>}	110.5865	0.105	8	110.4928	0.022	13	110.5759	0.117	14	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	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])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]O[5,6]O[5])	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>}	111.6550	0.000	1	111.6550	0.000	1	110.5759	0.117	14	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:2:1:	4:	4:4:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	110.7505	0.094	2	110.7505	0.009	2	110.7505	0.009	2	110.8647	0.255	23	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:3:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[6,6a]O[5,6]C[5])	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>}	H(C[5,6]C[6,6a]O[5,6]C[5])	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>}	112.1810	0.000	1	112.1810	0.000	1	112.1810	0.000	1	111.9160	0.140	2	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:3:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5,6]-4:	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])(N[5]C[5]S)(H)	H(C[5,6]C[6,6a]O[5,6]N[5])	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]O[5,6]N[5])	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){1|H<1>,1|S<4>,3|C<3>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	111.9160	0.140	2	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	3:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	112.0918	0.197	5	112.0918	0.039	5	112.0918	0.039	5	112.0918	0.039	5	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	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>}	112.0810	0.000	1	112.0810	0.000	1	112.0810	0.000	1	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)2{2|Br<1>,2|H<1>,3|C<3>}	112.2735	0.186	2	112.2735	0.035	2	111.8605	0.240	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H){3|C<3>,3|H<1>}	111.4940	0.000	1	111.4940	0.000	1	111.8605	0.240	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)2{3|H<1>,4|C<3>}	111.4010	0.000	1	111.4010	0.000	1	111.8605	0.240	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]C[5a,6]O[5,6]C[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]O[5,6]C[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,3|H<1>}	111.9760	0.000	1	111.9760	0.000	1	112.7018	0.244	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5a,6]O[5,6]C[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5a,6]O[5,6]C[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,4|H<1>}	113.0270	0.000	1	112.9437	0.015	3	112.7018	0.244	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5a,6]O[5,6]C[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]O[5,6]C[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	112.9020	0.139	2	112.9437	0.015	3	112.7018	0.244	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HO)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	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]HO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]CH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H){2|C<4>,2|H<1>,4|C<3>}	110.9670	0.000	1	110.9670	0.000	1	110.5810	0.113	6	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C){2|C<4>,3|C<3>,3|H<1>}	110.6190	0.000	1	110.6190	0.000	1	110.5810	0.113	6	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	110.8630	0.000	1	110.7530	0.024	2	110.5810	0.113	6	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,3|C<3>,4|H<1>}	110.6430	0.000	1	110.7530	0.024	2	110.5810	0.113	6	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	H(C[5,6]C[6,6a]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C){1|O<2>,2|C<3>,3|H<1>}	110.1970	0.194	2	110.1970	0.038	2	110.5810	0.113	6	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H){1|O<1>,2|C<4>,3|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.1620	0.100	3	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|H<1>,3|C<3>}	110.8450	0.000	1	110.8450	0.000	1	111.1620	0.100	3	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|C<3>}	111.1640	0.000	1	111.1640	0.000	1	111.1620	0.100	3	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]N[5,6]O[5,6]C[5])	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]N[5,6]O[5,6]C[5])	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[6]N[5])	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]O[5,6]C[6]N[5])	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>}	111.3310	0.016	2	111.3310	0.000	2	111.3310	0.000	2	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]N[6,6a]O[5,6]C[5])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[6,6a]O[5,6]C[5])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	110.0950	1.931	3	110.0950	3.729	3	110.8935	5.036	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:2:4:1:	4:	4:4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	H(C[5,6]N[6,6a]O[5,6]C[5])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[6,6a]O[5,6]C[5])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	113.2890	0.000	1	113.2890	0.000	1	110.8935	5.036	4	111.3383	1.213	27	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6a]C[6,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H){2|H<1>,4|C<3>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	111.0617	4.194	6	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6a]C[6,6a]O[5,6])	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6a]O[5,6])	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H){4|C<3>}	113.5740	0.034	2	113.5740	0.001	2	113.5740	0.001	2	111.0617	4.194	6	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	H(C[5,6]C[6,6a]N[5,5a]O[5,6])	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,5a]O[5,6])	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2{5|C<3>}	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	111.0617	4.194	6	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	H(C[5,6]C[6,6a]O[5,6]N[5])	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	H(C[5,6]C[6,6a]O[5,6]N[5])	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){2|F<1>,3|C<3>}	109.4060	0.000	1	109.4060	0.000	1	109.5485	0.041	2	111.0617	4.194	6	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	H(C[5,6]C[6,6a]O[5,6]N[5])	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]O[5,6]N[5])	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H){1|H<1>,6|C<3>}	109.6910	0.000	1	109.6910	0.000	1	109.5485	0.041	2	111.0617	4.194	6	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){3|C<3>,4|C<4>}	111.2945	0.080	2	111.3040	0.003	3	111.3040	0.003	3	111.3040	0.003	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){2|C<3>,5|C<4>}	111.3230	0.000	1	111.3040	0.003	3	111.3040	0.003	3	111.3040	0.003	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H){2|H<1>,4|C<3>}	107.6120	0.000	1	107.6120	0.000	1	109.5550	7.550	2	110.8960	3.387	5	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	O[5,6](C[5,6]C[5,6a]C[6]H)2{3|H<1>,4|C<3>}	111.4980	0.000	1	111.4980	0.000	1	109.5550	7.550	2	110.8960	3.387	5	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:4:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	H(C[5,6]C[5a,6]C[5,6]O[5,6])	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5,6])	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	110.8960	3.387	5	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:4:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,6]N[5a,6]C[5,5]O[5,6])	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	H(C[5,6]N[5a,6]C[5,5]O[5,6])	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,2|O<2>,4|H<1>}	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	110.8960	3.387	5	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	3:4:2:1:	4:	4:4:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,6]N[6,6a]C[5,5]O[5,6])	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]N[6,6a]C[5,5]O[5,6])	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	110.8960	3.387	5	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH){1|H<1>,1|O<2>,4|C<4>}	110.9640	0.059	3	110.9640	0.003	3	111.1406	0.061	5	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	111.4055	0.059	2	111.4055	0.003	2	111.1406	0.061	5	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	P[3x5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2	H(C[5,6]C[5,5,6,6]O[5,6]H)	O[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	O[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH){1|C<4>,2|C<3>,3|H<1>}	110.6550	0.008	2	110.6550	0.000	2	110.6550	0.000	2	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH){1|C<3>,1|H<1>,4|C<4>}	110.9830	0.006	2	110.9830	0.000	2	111.9257	1.312	4	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH){1|S<4>,3|C<4>,3|H<1>}	112.8685	0.617	2	112.8685	0.381	2	111.9257	1.312	4	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]HH){1|C<3>,1|H<1>,4|C<4>}	106.3770	5.018	2	106.3770	25.177	2	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<4>}	111.6735	2.183	2	111.6735	4.765	2	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH){1|Ru<8>,1|O<2>,2|H<1>,3|C<4>}	111.5030	0.068	2	111.5030	0.005	2	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|O<2>,2|H<1>}	110.4757	1.384	6	110.4757	1.915	6	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|N<3>,5|H<1>}	111.1245	0.035	2	111.1882	0.005	6	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	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>}	111.2735	0.005	2	111.1882	0.005	6	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	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>}	111.1665	0.045	2	111.1882	0.005	6	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	111.1640	0.052	2	111.1640	0.003	2	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	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<2>,1|N<3>,1|O<2>,2|H<1>}	111.2455	0.054	2	110.8530	0.438	9	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.7345	0.473	2	110.8530	0.438	9	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	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>,2|H<1>,2|O<2>}	111.1434	0.106	5	110.8530	0.438	9	110.6584	3.069	29	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	P[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](P[5,5,6]O[5,5]O[5,6]Ru)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2{1|Ru<6>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](P[5,5,6]O[5,5]O[5,6]Ru)(C[5,6]C[5,5,6]HH){2|C<4>}	110.7473	0.108	3	110.7764	0.007	7	110.7764	0.007	7	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	P[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](P[5,5,6]O[5,5]O[5,6]Ru)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2{1|Ru<9>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	O[5,6](P[5,5,6]O[5,5]O[5,6]Ru)(C[5,6]C[5,5,6]HH){2|C<4>}	110.7982	0.061	4	110.7764	0.007	7	110.7764	0.007	7	110.8350	2.095	47	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]C[3,6]O[5,6]O[5])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|N<3>,4|H<1>}	109.0310	1.321	4	109.0310	1.744	4	109.3756	2.465	11	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	H(C[5,6]C[3,6]O[5,6]O[5])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	111.3370	0.450	2	109.5726	3.112	7	109.3756	2.465	11	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	H(C[5,6]C[3,6]O[5,6]O[5])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	108.8668	1.561	5	109.5726	3.112	7	109.3756	2.465	11	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	C[5,6]-4:	C[4x5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	H(C[5,6]C[5,5,3x6]O[5,6]O)	O[5,6](C[4x5,6,6]C[3x5,3x6]2C[5,3x6])(C[5,6]C[5,5,3x6]HO)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,3x6]O[5,6]O)	O[5,6](C[4x5,6,6]C[3x5,3x6]2C[5,3x6])(C[5,6]C[5,5,3x6]HO){1|O<2>,3|H<1>,5|C<4>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]O[5,6]O[5])	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]O[5,6]O[5])	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H){1|O<1>,2|C<4>,3|H<1>}	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	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]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	109.8830	0.000	1	109.3370	1.309	5	109.3370	1.309	5	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	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]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	109.6200	0.000	1	109.3370	1.309	5	109.3370	1.309	5	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	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]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	108.6755	1.934	2	109.3370	1.309	5	109.3370	1.309	5	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	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]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){2|C<4>,2|O<2>,3|H<1>}	109.8310	0.000	1	109.3370	1.309	5	109.3370	1.309	5	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H)	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,4x6]-4:C[5,6]-4:	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H)	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H){1|C<3>,4|C<4>,5|H<1>}	109.9308	0.138	4	109.9308	0.019	4	109.9308	0.019	4	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[6,6]O[5,6]O[5])	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6]O[5,6]O[5])	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,4|H<1>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	110.0110	0.000	1	110.0110	0.000	1	109.7929	0.683	19	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.2029	0.670	9	110.2029	0.448	9	109.7929	0.683	19	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	109.4522	0.649	6	109.4522	0.421	6	109.7929	0.683	19	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.8000	0.000	1	109.8000	0.000	1	109.7929	0.683	19	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,4|H<1>}	109.9970	0.000	1	109.9970	0.000	1	109.7929	0.683	19	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H){3|C<4>,4|H<1>}	107.7180	0.000	1	107.7180	0.000	1	109.7929	0.683	19	109.6643	1.102	43	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6]C[3,5]O[5,6]C[6])	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H)	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	112.2220	0.199	2	112.2220	0.040	2	112.2220	0.040	2	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,5,6]C[6]H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,5,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.1490	0.000	1	112.1490	0.000	1	111.8670	0.159	2	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,5,6]C[6]H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,5,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.5850	0.000	1	111.5850	0.000	1	111.8670	0.159	2	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	109.5140	0.000	1	109.5140	0.000	1	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.9060	0.000	1	109.9060	0.000	1	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	109.4000	0.000	1	109.6617	0.082	3	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.9680	0.000	1	109.6617	0.082	3	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|O<2>,4|H<1>}	109.6170	0.000	1	109.6617	0.082	3	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.3460	0.000	1	110.5130	0.056	2	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.6800	0.000	1	110.5130	0.056	2	109.9187	0.215	7	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.3360	0.079	2	110.3360	0.006	2	110.3360	0.006	2	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.5690	0.000	1	110.5690	0.000	1	110.9397	0.090	6	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.9850	0.000	1	110.9850	0.006	3	110.9397	0.090	6	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	110.9850	0.113	2	110.9850	0.006	3	110.9397	0.090	6	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	111.4210	0.000	1	111.4210	0.000	1	110.9397	0.090	6	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	110.6930	0.000	1	110.6930	0.000	1	110.9397	0.090	6	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	H(C[5,6]C[5,6,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6,6]C[6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.2370	0.000	1	111.2370	0.000	1	110.9395	0.177	2	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6,6]C[6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6420	0.000	1	110.6420	0.000	1	110.9395	0.177	2	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|H<1>,4|C<4>}	110.8300	2.350	3	110.0078	6.385	4	111.1365	4.252	8	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|H<1>,4|C<4>}	107.5410	0.000	1	110.0078	6.385	4	111.1365	4.252	8	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	112.2975	0.144	2	112.2975	0.021	2	111.1365	4.252	8	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	112.6740	0.000	1	112.6740	0.000	1	111.1365	4.252	8	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	H(C[5,6]C[5,6]O[5,6]C[5])	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>}	111.7920	0.000	1	111.7920	0.000	1	111.1365	4.252	8	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]C[6,6]O[5,6]C[5])	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>}	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:S[5]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H)	H(C[5,6]C[6,6]O[5,6]S[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H){1|Si<4>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[6,6]O[5,6]S[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.1400	0.000	1	111.1400	0.000	1	111.8020	0.168	5	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	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)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.6850	0.000	1	111.6850	0.000	1	111.8020	0.168	5	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	111.9850	0.000	1	111.9850	0.000	1	111.8020	0.168	5	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	112.0280	0.000	1	112.1000	0.010	2	111.8020	0.168	5	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-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]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	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>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	112.1720	0.000	1	112.1000	0.010	2	111.8020	0.168	5	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	4:4:	P[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:	B[5,5,6]-4:C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H)	H(C[5,6]P[5,5,6]O[5,6]C[6a])	O[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a]H)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]P[5,5,6]O[5,6]C[6a])	O[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	108.8163	0.803	3	108.8163	0.644	3	108.8163	0.644	3	110.7226	1.815	45	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	5:4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:	P[3x5,6]-5:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6a])	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]C[6a]H){3|C<3>,3|C<4>}	109.5620	0.000	1	109.5620	0.000	1	109.5227	0.004	3	109.5227	0.004	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:3:1:	4:	5:4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:	P[3x5,6]-5:C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6a])	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	109.5030	0.079	2	109.5030	0.006	2	109.5227	0.004	3	109.5227	0.004	3	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	3:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|C<3>,5|H<1>}	110.7120	0.010	2	110.6496	0.050	58	110.6496	0.050	58	110.6496	0.050	58	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	3:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	110.6474	0.228	56	110.6496	0.050	58	110.6496	0.050	58	110.6496	0.050	58	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H)	H(C[5,6]C[3,5]O[5,6]C[6])	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	110.3304	0.501	5	110.3304	0.251	5	109.7828	0.865	10	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H)	H(C[5,6]C[3,5]O[5,6]C[6])	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H){1|C<4>,2|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	109.2352	0.972	5	109.2352	0.945	5	109.7828	0.865	10	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[3,6]O[5,6]C[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	H(C[5,6]C[3,6]O[5,6]C[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	99.3211	0.000	1	108.5888	16.550	10	108.5888	16.550	10	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[3,6]O[5,6]C[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	H(C[5,6]C[3,6]O[5,6]C[5])	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.6186	2.586	9	108.5888	16.550	10	108.5888	16.550	10	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H)	H(C[5,6]C[5,5,6]O[5,6]C)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){2|C<4>,3|C<3>,5|H<1>}	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	110.5990	0.000	1	110.5990	0.000	1	109.4837	0.936	3	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	108.9260	0.076	2	108.9260	0.006	2	109.4837	0.936	3	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HO)(H)	H(C[5,6]C[5,6,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]H)	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]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]O[5,6]C[5])	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]H){2|O<2>,4|C<4>,6|H<1>}	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	108.7347	1.710	6	108.7347	2.923	6	108.7347	2.923	6	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]O[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<1>,2|C<4>,3|H<1>}	111.1180	0.000	1	111.1180	0.000	1	110.4777	1.087	6	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C){1|C<4>,2|O<2>,4|H<1>}	108.9200	0.000	1	108.9200	0.000	1	110.4777	1.087	6	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.3630	0.000	1	110.3630	0.000	1	110.4777	1.087	6	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	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]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,4|H<1>}	109.6030	0.000	1	109.6030	0.000	1	110.4777	1.087	6	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	O[5,6](C[5,6]C[5,6]C[5]H)2{1|O<2>,2|C<4>,6|H<1>}	111.4310	0.062	2	111.4310	0.004	2	110.4777	1.087	6	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	105.9880	0.000	1	105.9880	0.000	1	108.5194	4.871	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	110.2790	0.000	1	110.2790	0.000	1	108.5194	4.871	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	110.6700	0.000	1	108.7767	4.891	3	108.5194	4.871	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	109.3140	0.000	1	108.7767	4.891	3	108.5194	4.871	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	106.3460	0.000	1	108.7767	4.891	3	108.5194	4.871	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H){2|O<2>,3|C<3>,3|H<1>}	109.5735	0.125	2	109.5735	0.016	2	109.9191	0.360	7	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.1610	0.000	1	111.1610	0.000	1	109.9191	0.360	7	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{3|C<3>,5|H<1>}	109.6005	0.340	2	109.6005	0.116	2	109.9191	0.360	7	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	109.9625	0.206	2	109.9625	0.042	2	109.9191	0.360	7	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]HH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C){3|C<4>,6|H<1>}	109.7350	0.222	2	109.7350	0.049	2	110.0812	0.495	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	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]O[5]HH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H){3|C<4>,4|H<1>}	110.8320	0.000	1	110.8320	0.000	1	110.0812	0.495	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.3020	0.000	1	109.3020	0.000	1	110.0812	0.495	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H){2|C<4>,2|H<1>,4|C<3>}	110.8020	0.000	1	110.8020	0.000	1	110.0812	0.495	5	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|N<3>,4|H<1>}	108.9465	0.513	4	108.6958	0.356	6	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	108.1945	0.489	2	108.6958	0.356	6	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	107.9924	1.525	5	107.9924	2.326	5	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){2|C<4>,2|O<2>,3|H<1>}	110.5750	0.000	1	110.5750	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	110.6560	0.000	1	110.6560	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,5,6]C[5]O)(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]CH)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.4020	0.252	2	109.4020	0.063	2	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]C[5]C)(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]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.3270	0.000	1	110.3270	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[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]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	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>}	110.5080	0.000	1	110.5080	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	108.3910	1.393	2	108.3910	1.940	2	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,4|H<1>}	110.8667	0.094	3	110.8667	0.009	3	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	110.8470	0.000	1	110.8470	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6]O[5]H)(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]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,4|H<1>}	107.9220	0.000	1	107.9220	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.3357	1.556	3	109.3357	2.422	3	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,3|C<3>,4|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	110.1160	0.000	1	110.1160	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	110.7640	0.020	2	110.7640	0.000	2	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|C<3>,4|H<1>}	110.9068	0.168	4	110.9068	0.028	4	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	109.7300	0.000	1	109.7300	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	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]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,7|H<1>}	110.0910	0.000	1	110.0910	0.000	1	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	111.2440	0.000	1	111.0910	0.083	5	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	111.0723	0.387	3	111.0910	0.083	5	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:2:4:1:	4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	110.9940	0.000	1	111.0910	0.083	5	109.7451	1.764	42	109.5710	3.147	98	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[5,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){1|H<1>,2|C<4>,4|C<3>}	112.3920	0.000	1	112.3920	0.000	1	112.3920	0.000	1	112.3920	0.000	1	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]N[5a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]N[5a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H){1|C<3>,1|N<2>,2|O<2>,4|H<1>}	109.5880	0.197	2	109.5880	0.039	2	109.5880	0.039	2	110.8905	0.362	15	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	H(C[5,6]C[5a,6]C[5,5]O[5,6])	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,5]O[5,6])	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.6135	0.438	2	111.6135	0.192	2	111.6135	0.192	2	110.8905	0.362	15	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	H(C[5,6]C[6,6a]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.8905	0.362	15	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:3:2:1:	4:	4:4:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){1|H<1>,4|C<3>}	111.0010	0.176	10	111.0010	0.031	10	111.0010	0.031	10	110.8905	0.362	15	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.9364	0.251	5	109.9364	0.063	5	109.9849	0.060	7	109.9429	0.057	11	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,2|O<2>,4|H<1>}	109.9220	0.000	1	109.9220	0.000	1	109.9849	0.060	7	109.9429	0.057	11	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	110.2900	0.000	1	110.2900	0.000	1	109.9849	0.060	7	109.9429	0.057	11	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5,6]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5,6])	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C){1|C<3>,2|S<2>,3|C<4>,3|H<1>}	109.8695	0.244	4	109.8695	0.060	4	109.8695	0.060	4	109.9429	0.057	11	110.4534	3.506	599	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	110.8530	0.000	1	110.8530	0.000	1	110.8117	0.083	33	110.8117	0.083	33	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|H<1>}	110.7447	0.289	3	110.7447	0.083	3	110.8117	0.083	33	110.8117	0.083	33	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<2>,2|C<4>}	110.9839	0.183	13	110.9839	0.034	13	110.8117	0.083	33	110.8117	0.083	33	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.6155	0.297	13	110.6817	0.095	16	110.8117	0.083	33	110.8117	0.083	33	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	110.8470	0.000	1	110.6817	0.095	16	110.8117	0.083	33	110.8117	0.083	33	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:3:2:1:	4:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	111.0290	0.206	2	110.6817	0.095	16	110.8117	0.083	33	110.8117	0.083	33	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	109.9990	0.000	1	109.9835	0.000	2	109.9835	0.000	2	109.9835	0.000	2	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	109.9680	0.000	1	109.9835	0.000	2	109.9835	0.000	2	109.9835	0.000	2	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	106.1120	0.000	1	106.1120	0.000	1	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	110.6630	0.054	2	110.6494	0.003	9	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	110.6456	0.061	7	110.6494	0.003	9	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|I<1>,2|C<4>,2|H<1>}	110.3923	0.219	3	110.3923	0.048	3	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	110.2610	0.095	2	110.2625	0.013	6	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	110.2503	0.165	3	110.2625	0.013	6	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<3>,3|C<4>}	110.3020	0.000	1	110.2625	0.013	6	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.2285	0.080	2	110.1823	0.867	10	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.6963	0.498	4	110.1823	0.867	10	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.6453	1.269	4	110.1823	0.867	10	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	2:4:2:1:	4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	110.5030	0.000	1	110.5030	0.000	1	110.2345	0.921	30	110.2345	0.921	30	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]O[5,6]O[5])	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>}	H(C[5,6]C[5,6]O[5,6]O[5])	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>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	110.7640	0.230	21	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:2:2:1:	4:	4:4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5a,6]O[5,6]O[5])	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5a,6]O[5,6]O[5])	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.6148	0.159	4	111.6148	0.025	4	111.6148	0.025	4	110.7640	0.230	21	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H){1|H<1>,5|C<3>}	110.5438	0.103	10	110.5438	0.011	10	110.4846	0.018	14	110.7640	0.230	21	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,2|C<3>}	110.3583	0.043	3	110.3367	0.003	4	110.4846	0.018	14	110.7640	0.230	21	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|H<1>,3|C<3>}	110.2720	0.000	1	110.3367	0.003	4	110.4846	0.018	14	110.7640	0.230	21	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:2:2:1:	4:	4:4:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	110.7420	0.072	2	110.7420	0.005	2	110.7420	0.005	2	110.7640	0.230	21	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:3:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[5,6]-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)	H(C[5,6]C[6,6a]C[5,6]O[5])	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>}	H(C[5,6]C[6,6a]C[5,6]O[5])	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>}	109.9710	0.279	2	109.9710	0.078	2	109.9710	0.078	2	109.2842	0.571	6	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	108.9610	0.000	1	108.9610	0.000	1	108.9408	0.454	4	109.2842	0.571	6	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	108.4580	0.044	2	108.4580	0.002	2	108.9408	0.454	4	109.2842	0.571	6	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	109.8860	0.000	1	109.8860	0.000	1	108.9408	0.454	4	109.2842	0.571	6	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-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)	H(C[5,6]C[5,6,6]C[5,6]O[5])	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>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)2{2|C<3>,2|H<1>,4|C<4>}	108.6830	0.392	2	108.6830	0.153	2	108.6830	0.153	2	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6,6]C[6]O[5])	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>}	H(C[5,6]C[5,6,6]C[6]O[5])	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>}	111.7250	0.272	2	111.7250	0.074	2	111.7250	0.074	2	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]2O[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>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	110.8380	0.537	2	110.8380	0.289	2	110.4957	0.496	3	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]2O[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>}	H(C[5,6]C[5,6]2O[5])	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>}	109.8110	0.000	1	109.8110	0.000	1	110.4957	0.496	3	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){4|C<4>,5|H<1>}	107.4400	2.878	2	107.4400	8.282	2	107.4400	8.282	2	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<3>}	106.1300	0.000	1	106.3285	0.079	2	108.2228	4.813	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<3>,3|H<1>}	106.5270	0.000	1	106.3285	0.079	2	108.2228	4.813	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	110.1730	0.000	1	110.1730	0.000	1	108.2228	4.813	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[5])	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>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	110.0610	0.000	1	110.0610	0.000	1	108.2228	4.813	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[6]O[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>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|H<1>,3|C<4>}	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){2|C<3>,2|C<4>}	109.8350	0.000	2	109.8350	0.000	2	109.6035	0.086	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.5190	0.000	1	109.5190	0.000	1	109.6035	0.086	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]O[5])	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.2250	0.000	1	109.2250	0.000	1	109.6035	0.086	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.7395	0.612	2	108.8657	0.171	4	109.4174	0.447	9	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	108.9920	0.276	2	108.8657	0.171	4	109.4174	0.447	9	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	109.2390	0.000	1	109.2390	0.000	1	109.4174	0.447	9	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8985	0.347	2	109.8985	0.121	2	109.4174	0.447	9	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.1290	0.465	2	110.1290	0.216	2	109.4174	0.447	9	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	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[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	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>}	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.0785	0.009	2	109.0785	0.000	2	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	110.8070	0.000	1	110.8070	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.0320	0.000	1	111.0320	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>}	111.5670	0.000	1	111.5670	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.5900	0.595	2	108.5900	0.354	2	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.2640	0.274	2	109.3628	0.107	14	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.4515	0.487	2	109.3628	0.107	14	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.3759	0.359	9	109.3628	0.107	14	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.2650	0.000	1	109.3628	0.107	14	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	107.6390	0.000	1	107.6390	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	109.3630	0.000	1	109.3630	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.5920	0.000	1	109.5920	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	109.6910	0.000	1	109.6910	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	109.5940	0.000	1	109.5940	0.000	1	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.6278	0.343	4	109.6278	0.118	4	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.9267	0.438	6	108.9267	0.192	6	109.3826	0.535	36	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]N[5,5,6]C[5,6]O[5])	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]N[5,5,6]C[5,6]O[5])	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	108.7385	2.487	2	108.7385	6.185	2	108.7385	6.185	2	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	H(C[5,6]N[5,5,6]C[6]O[5])	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,5,6]C[6]O[5])	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	109.1390	0.017	2	109.1390	0.000	2	108.7807	0.181	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]N[5,5,6]C[6]O[5])	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,5,6]C[6]O[5])	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,4|C<4>}	108.4225	0.169	2	108.4225	0.029	2	108.7807	0.181	4	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH)	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH){1|C<3>,2|H<1>,3|C<4>}	110.1645	0.011	2	110.1645	0.000	2	109.4153	1.684	3	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]O[5])	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,3|H<1>}	107.9170	0.000	1	107.9170	0.000	1	109.4153	1.684	3	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	107.5510	0.000	1	107.5510	0.000	1	107.4895	0.008	2	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	107.4280	0.000	1	107.4280	0.000	1	107.4895	0.008	2	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.5300	0.000	1	110.5300	0.000	1	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.7650	0.000	2	108.7650	0.000	2	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.5028	0.175	4	109.5423	0.055	9	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.0680	0.000	1	109.5423	0.055	9	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.5400	0.000	2	109.5423	0.055	9	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	109.3610	0.059	2	109.5423	0.055	9	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	109.2090	0.000	1	109.7730	0.636	2	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	110.3370	0.000	1	109.7730	0.636	2	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[6]O[5])	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	109.9585	0.279	2	109.9585	0.078	2	109.5877	0.251	16	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]N[6,6a]C[5,6]O[5])	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[5,6]N[6,6a]C[5,6]O[5])	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH){1|N<3>,2|C<3>,3|H<1>}	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	3:4:2:1:	4:	4:4:	O[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	109.4218	1.190	96	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]C[3,6]O[5,6]O[5])	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	109.9327	0.815	4	109.9327	0.664	4	110.0255	1.712	11	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	H(C[5,6]C[3,6]O[5,6]O[5])	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.0784	1.585	7	110.0784	2.513	7	110.0255	1.712	11	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,5,6]O[5]O[6])	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]O[5]O[6])	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS){1|C<3>,2|C<4>,2|H<1>}	110.4270	0.000	1	110.4270	0.000	1	110.3965	0.002	2	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,5,6]O[5]O[6])	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]O[5]O[6])	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO){1|O<2>,2|C<4>,2|H<1>}	110.3660	0.000	1	110.3660	0.000	1	110.3965	0.002	2	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]O[5,6]O[5])	O[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]O[5,6]O[5])	O[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|H<1>}	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	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]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	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|O<2>,2|H<1>}	109.8690	0.000	1	110.1314	0.213	5	110.1314	0.213	5	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	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]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.1970	0.506	4	110.1314	0.213	5	110.1314	0.213	5	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H){2|C<4>,3|H<1>,3|O<2>}	109.6750	0.000	1	109.6750	0.000	1	108.1380	4.725	2	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H){1|C<3>,2|H<1>,3|C<4>}	106.6010	0.000	1	106.6010	0.000	1	108.1380	4.725	2	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H){1|C<3>,4|C<4>,5|H<1>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H){1|C<3>,3|C<4>,3|H<1>}	110.7240	0.000	1	110.7240	0.000	1	109.5835	2.601	2	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H){4|C<4>,4|H<1>}	108.4430	0.000	1	108.4430	0.000	1	109.5835	2.601	2	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	108.9960	0.000	1	109.3333	1.024	32	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.3530	2.120	4	109.3333	1.024	32	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.1948	0.719	27	109.3333	1.024	32	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	109.2120	0.000	1	109.2120	0.000	1	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	108.7045	0.364	2	108.7045	0.133	2	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){2|H<1>,3|C<4>}	107.8650	0.000	1	108.9060	2.167	2	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	109.9470	0.000	1	108.9060	2.167	2	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	110.5380	0.000	1	110.5380	0.000	1	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	111.1840	0.000	1	110.7300	0.412	2	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<4>,2|H<1>,3|C<3>}	110.2760	0.000	1	110.7300	0.412	2	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	110.5865	0.291	2	110.5865	0.084	2	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O){1|H<1>,2|C<3>,2|C<4>}	109.4590	0.000	1	109.4590	0.000	1	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	111.5210	0.000	1	111.5210	0.000	1	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|P<4>}	109.3290	0.000	1	109.3290	0.000	1	109.4796	1.092	45	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	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>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,4|C<3>}	110.5370	0.348	2	109.9517	1.088	3	110.1628	0.712	10	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<4>,3|C<3>}	108.7810	0.000	1	109.9517	1.088	3	110.1628	0.712	10	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	110.2950	0.270	2	110.2950	0.073	2	110.1628	0.712	10	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	108.4580	0.000	1	109.9180	1.599	3	110.1628	0.712	10	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	110.6480	0.010	2	109.9180	1.599	3	110.1628	0.712	10	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	110.7145	0.018	2	110.7145	0.000	2	110.1628	0.712	10	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[6,6]O[5,6]O[5])	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6]O[5,6]O[5])	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	109.9710	0.000	1	109.9710	0.000	1	109.7997	0.821	19	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.7233	1.093	9	109.7233	1.195	9	109.7997	0.821	19	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.7405	0.923	6	109.7405	0.853	6	109.7997	0.821	19	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.6680	0.000	1	110.6680	0.000	1	109.7997	0.821	19	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	110.0170	0.000	1	110.0170	0.000	1	109.7997	0.821	19	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	109.5850	0.000	1	109.5850	0.000	1	109.7997	0.821	19	109.7227	1.091	100	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6,6]C[6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[6]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C)	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	108.7220	0.000	1	108.7220	0.000	1	109.3405	0.511	4	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	109.9065	0.497	2	109.9065	0.247	2	109.3405	0.511	4	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	108.8270	0.000	1	108.8270	0.000	1	109.3405	0.511	4	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,3|C<4>,6|H<1>}	110.5070	0.253	2	110.5070	0.064	2	110.5070	0.064	2	109.5618	0.636	9	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	N[5,5,6]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	108.4705	1.029	2	108.4705	1.059	2	108.4705	1.059	2	108.4705	1.059	2	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	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[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	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>}	104.9250	0.000	1	104.9250	0.000	1	104.9250	0.000	1	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,8|C<4>}	105.7477	0.358	3	105.7477	0.128	3	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	106.4240	0.000	1	105.7784	0.188	5	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	105.8460	0.000	1	105.7784	0.188	5	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	105.3900	0.163	2	105.7784	0.188	5	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,7|C<4>}	105.8420	0.000	1	105.7784	0.188	5	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	107.4520	0.000	1	107.4520	0.000	1	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	106.6960	0.000	1	106.6960	0.000	1	106.0283	0.448	10	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|H<1>,7|C<4>}	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	109.0420	0.000	1	109.0420	0.000	1	108.7425	0.179	2	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	108.4430	0.000	1	108.4430	0.000	1	108.7425	0.179	2	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]C[6]H){1|O<2>,4|H<1>,6|C<4>}	110.4785	0.646	2	110.4785	0.417	2	110.4785	0.417	2	107.1488	4.148	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:O[5]-2:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6]){1|H<1>,2|C<3>,3|C<4>}	109.2245	0.409	2	109.2245	0.168	2	109.2245	0.168	2	109.2245	0.168	2	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C){3|C<3>,3|H<1>}	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	H(C[5,6]C[5,3x6]C[6,6a]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[6,6a]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	109.3080	0.000	1	108.8325	0.452	2	108.8325	0.452	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	H(C[5,6]C[5,3x6]C[6,6a]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[6,6a]O[5])	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.3570	0.000	1	108.8325	0.452	2	108.8325	0.452	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	108.5995	0.081	2	108.5995	0.007	2	109.1712	1.346	5	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC){2|C<3>,2|C<4>,2|H<1>}	108.6170	0.000	1	108.6170	0.000	1	109.1712	1.346	5	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.0200	1.725	2	110.0200	2.977	2	109.1712	1.346	5	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,5,6]N[6,6a]O[5])	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]N[6,6a]O[5])	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5a,6]O[5])	O[5](C[5,6]C[5,6,6]C[5a,6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5a,6]O[5])	O[5](C[5,6]C[5,6,6]C[5a,6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.0037	0.195	3	110.0037	0.038	3	110.0037	0.038	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	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>,1|O<2>,3|C<3>}	108.7920	0.000	1	108.6783	0.010	3	108.6783	0.010	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.6420	0.000	1	108.6783	0.010	3	108.6783	0.010	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	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>}	108.6010	0.000	1	108.6783	0.010	3	108.6783	0.010	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	108.6265	0.271	2	108.6265	0.073	2	108.5977	0.039	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	108.5400	0.000	1	108.5400	0.000	1	108.5977	0.039	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.9710	0.000	1	108.9710	0.000	1	108.8820	0.016	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.7930	0.000	1	108.7930	0.000	1	108.8820	0.016	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,2|H<1>,3|C<4>}	111.0470	0.000	1	111.0470	0.000	1	110.1033	2.435	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.9610	0.000	1	110.9610	0.000	1	110.1033	2.435	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.3020	0.000	1	108.3020	0.000	1	110.1033	2.435	3	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]N[6]O[5])	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]N[6]O[5])	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]2O[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>}	H(C[5,6]C[5,6]2O[5])	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>}	109.3890	0.187	2	109.3890	0.035	2	109.3890	0.035	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]2O[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>}	H(C[5,6]C[5,6]2O[5])	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>}	110.9160	0.000	1	110.9160	0.000	1	110.4405	0.452	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	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)	H(C[5,6]C[5,6]2O[5])	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>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	109.9650	0.000	1	109.9650	0.000	1	110.4405	0.452	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H){1|C<3>,4|C<4>,4|H<1>}	110.7270	0.000	1	110.7270	0.000	1	110.8500	0.030	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.9730	0.000	1	110.9730	0.000	1	110.8500	0.030	2	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	106.8990	0.985	3	106.8990	0.971	3	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	108.9170	0.000	1	107.0895	6.680	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	105.2620	0.000	1	107.0895	6.680	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|O<1>,2|H<1>,3|C<4>}	110.7035	9.528	2	110.7035	90.788	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,2|C<3>,3|H<1>}	111.3320	0.000	1	111.3320	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	107.5610	0.000	1	107.5610	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	109.6395	0.042	2	109.6395	0.002	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	110.3100	0.212	2	110.3100	0.045	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	109.7575	0.248	2	109.7575	0.062	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	109.0090	0.000	1	109.0090	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|O<2>,4|H<1>}	109.5670	0.000	1	109.5670	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<1>,3|C<4>}	109.4480	0.000	1	109.4480	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	109.1340	0.000	1	109.1340	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	109.2060	0.250	2	109.2060	0.063	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	111.0630	0.023	2	110.3629	0.719	7	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	110.0828	0.857	5	110.3629	0.719	7	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	110.1859	0.434	8	110.1859	0.188	8	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.3950	0.035	2	109.3950	0.001	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	110.4850	0.460	2	110.1520	0.366	5	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	109.9300	0.665	3	110.1520	0.366	5	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	109.1830	0.000	1	109.1830	0.000	1	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.4060	0.000	1	109.4805	0.011	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.5550	0.000	1	109.4805	0.011	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	109.1023	0.711	3	109.1023	0.505	3	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.5120	0.000	1	109.0590	0.410	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	108.6060	0.000	1	109.0590	0.410	2	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.2875	1.374	2	108.9283	1.182	4	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.5690	0.127	2	108.9283	1.182	4	109.5094	3.130	55	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.7030	0.619	2	108.7030	0.384	2	109.3640	2.133	6	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[6]O[5])	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>}	109.6945	1.729	4	109.6945	2.990	4	109.3640	2.133	6	109.4805	2.217	95	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	N[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<2>,4|H<1>,5|C<4>}	111.2005	0.238	4	111.0652	0.134	5	111.0652	0.134	5	111.0652	0.134	5	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	N[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	110.5240	0.000	1	111.0652	0.134	5	111.0652	0.134	5	111.0652	0.134	5	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:S[5]-3:	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[4,5,6]C[6]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O)	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5,6]C[4,5,6]C[6]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	109.2965	0.169	2	109.2965	0.029	2	109.2965	0.029	2	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C){1|O<2>,2|C<4>,4|H<1>}	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:S[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(S[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(S[5]O[5]O){2|H<1>,3|C<4>}	108.5208	0.816	5	108.5208	0.667	5	108.5208	0.667	5	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6]){1|C<3>,3|C<4>,6|H<1>}	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	109.8110	0.000	1	109.8110	0.000	1	109.9850	0.061	2	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5]){1|C<4>,4|C<3>,4|H<1>}	110.1590	0.000	1	110.1590	0.000	1	109.9850	0.061	2	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:S[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]O){2|C<4>,3|H<1>}	108.5290	0.940	5	108.5290	0.883	5	108.5290	0.883	5	108.9829	0.833	16	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[3,5,6]C[6]O[5])	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[6]O[5])	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3,6,6]C[5,6]O[5])	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[3,6,6]C[5,6]O[5])	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.8260	0.477	2	110.6260	0.234	3	110.6260	0.234	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3,6,6]C[5,6]O[5])	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[3,6,6]C[5,6]O[5])	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.2260	0.000	1	110.6260	0.234	3	110.6260	0.234	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.7720	0.758	2	108.7720	0.575	2	109.2123	0.869	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3,6]C[5,6]O[5])	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.0930	0.000	1	110.0930	0.000	1	109.2123	0.869	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3x6]C[5,6]O[5])	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[3x6]C[5,6]O[5])	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[4,5,6]C[6]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	H(C[5,6]C[4,5,6]C[6]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.3280	0.953	2	109.3280	0.909	2	109.3280	0.909	2	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[4,5,6]C[6]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[4,5,6]C[6]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H){1|C<3>,4|C<4>,4|H<1>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,5,6,6]C[6]O[5])	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[6]O[5])	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]O[5]H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]O[5]H){1|C<3>,1|O<2>,6|C<4>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H)	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH){3|C<4>,4|H<1>}	108.9285	0.390	4	108.9285	0.152	4	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){2|C<4>,2|H<1>,3|O<2>}	109.2740	0.000	1	109.2740	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	109.7730	0.011	2	109.7730	0.000	2	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.4430	0.000	1	110.4430	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.6980	0.294	2	110.6980	0.087	2	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.5150	0.000	1	110.5150	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.4937	0.270	6	110.4937	0.073	6	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.1380	0.000	1	109.1380	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.4575	0.238	4	109.4575	0.057	4	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	109.0740	0.000	1	109.0740	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.6810	0.000	1	109.6810	0.000	1	109.8119	0.470	25	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.8533	1.482	3	109.8533	2.197	3	109.8533	2.197	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[4,5,5]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[4,5,5]C[4,5,6]2C[5])(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[4,5,5]C[4,5,6]2C[5])(C[5,6]C[5,6,6]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,5|C<4>}	110.0910	0.000	1	110.0910	0.000	1	110.6410	0.605	2	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[4,5,5]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[4,5,5]C[4,5,6]2C[5])(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[4,5,5]C[4,5,6]2C[5])(C[5,6]C[5,6,6]C[5,6]H){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	111.1910	0.000	1	111.1910	0.000	1	110.6410	0.605	2	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	109.9030	0.000	1	109.9030	0.000	1	109.0224	0.412	5	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	108.5680	0.100	3	108.5680	0.010	3	109.0224	0.412	5	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.5050	0.000	1	109.5050	0.000	1	109.0224	0.412	5	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6])	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6]){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH){2|H<1>,5|C<4>}	108.5435	0.535	2	108.5435	0.287	2	108.5435	0.287	2	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	105.4750	0.000	1	107.3530	7.054	2	108.6090	8.259	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.2310	0.000	1	107.3530	7.054	2	108.6090	8.259	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	111.1210	0.000	1	111.1210	0.000	1	108.6090	8.259	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	110.0220	0.042	2	110.0220	0.002	2	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH){1|O<2>,3|C<4>,3|H<1>}	110.8383	0.022	3	110.8383	0.000	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.2050	0.000	2	110.2870	0.020	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.4510	0.000	1	110.2870	0.020	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	107.4570	0.000	1	108.3577	0.608	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	108.8080	0.006	2	108.3577	0.608	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|H<1>,6|C<4>}	110.0426	0.275	10	110.0426	0.076	10	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	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[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.5920	0.000	1	110.5920	0.000	1	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	110.5775	0.095	2	110.5775	0.009	2	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	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>}	108.5410	0.096	2	108.5410	0.009	2	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO){1|C<3>,3|C<4>,3|H<1>}	109.0270	0.000	1	109.0270	0.000	1	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	110.1940	0.000	1	110.1940	0.000	1	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	108.8090	0.018	2	108.7587	0.008	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	108.6580	0.000	1	108.7587	0.008	3	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	110.0050	0.075	2	110.0050	0.006	2	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.9640	0.000	1	108.9640	0.000	1	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO){1|C<3>,3|C<4>,3|H<1>}	110.6460	0.000	1	110.6460	0.000	1	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){3|C<4>,4|H<1>}	107.9940	0.000	1	108.1545	0.052	2	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	108.3150	0.000	1	108.1545	0.052	2	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	108.5920	0.000	1	108.5920	0.000	1	109.6781	0.803	38	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]2O[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]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H){2|O<2>,3|C<4>,3|H<1>}	108.4790	0.000	1	108.4790	0.000	1	109.2407	0.750	6	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	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>}	109.1557	0.443	3	109.1557	0.197	3	109.2407	0.750	6	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,5]C[3x5,6]C[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	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>}	108.6910	0.000	1	108.6910	0.000	1	109.2407	0.750	6	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	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>}	110.8070	0.000	1	110.8070	0.000	1	109.2407	0.750	6	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.9675	0.111	2	109.9675	0.012	2	110.2431	0.827	14	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.2920	0.113	2	109.2920	0.013	2	110.2431	0.827	14	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H){1|O<2>,4|C<4>,6|H<1>}	111.5320	0.245	2	110.4885	0.906	10	110.2431	0.827	14	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H){1|O<2>,4|C<4>,6|H<1>}	110.2276	0.876	8	110.4885	0.906	10	110.2431	0.827	14	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.2240	1.710	2	109.2240	2.923	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.8690	0.000	1	110.8690	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.2160	0.051	2	109.2160	0.003	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.5890	0.000	1	109.5890	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.5340	0.000	1	109.0725	0.426	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.6110	0.000	1	109.0725	0.426	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.9140	0.209	2	109.9140	0.044	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.2955	0.035	2	110.3821	1.383	58	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.3885	3.319	4	110.3821	1.383	58	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.2720	0.000	1	110.3821	1.383	58	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(O[5]C[5])(H){1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.7610	0.000	1	110.3821	1.383	58	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.1340	0.000	1	110.3821	1.383	58	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.2418	0.767	49	110.3821	1.383	58	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	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]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	109.7370	0.000	1	109.7370	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.8243	0.069	4	109.3446	1.154	5	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]O[5]O[6]C)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,1|O<3>,2|C<4>}	107.4260	0.000	1	109.3446	1.154	5	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	106.6290	0.000	1	110.2300	2.025	30	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,2|H<1>,2|O<2>}	109.8050	0.000	1	110.2300	2.025	30	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	110.3738	1.291	28	110.2300	2.025	30	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH){1|C<4>,2|H<1>,2|O<2>}	109.7340	0.000	1	109.7340	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	100.6880	0.000	1	100.6880	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.5060	0.000	1	108.5060	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.8200	0.000	1	108.8200	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.0180	0.000	1	109.0180	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.8120	0.000	1	110.0375	1.200	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[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]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.2630	0.000	1	110.0375	1.200	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.3790	0.000	1	112.3790	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.5670	0.000	1	111.5670	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	108.1290	0.000	1	108.1290	0.000	1	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	112.0790	0.000	1	112.7875	1.004	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	113.4960	0.000	1	112.7875	1.004	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.5590	0.000	1	109.6190	0.007	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.6790	0.000	1	109.6190	0.007	2	110.1234	2.412	118	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.7137	0.377	3	109.6630	0.105	4	109.6630	0.105	4	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.5110	0.000	1	109.6630	0.105	4	109.6630	0.105	4	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	109.6730	0.000	1	109.6730	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|H<1>,3|C<4>,3|O<2>}	109.0590	0.000	1	109.0590	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|O<2>,5|H<1>}	108.8800	0.000	1	108.8800	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.7900	0.000	1	109.8060	0.018	9	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	110.0770	0.000	1	109.8060	0.018	9	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	109.7696	0.099	7	109.8060	0.018	9	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	109.1453	0.541	4	109.1453	0.293	4	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|B<3>,1|C<4>,3|H<1>,3|O<2>}	109.6907	1.166	7	109.8565	1.385	8	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|H<1>,3|O<2>}	111.0170	0.000	1	109.8565	1.385	8	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,4|O<2>,5|H<1>}	109.4900	0.000	1	109.4900	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|O<2>,4|H<1>}	109.9220	0.000	1	109.9220	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	110.0662	0.192	6	110.0190	0.061	8	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.8775	0.439	2	110.0190	0.061	8	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.8970	0.129	2	110.0307	0.096	4	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	110.4810	0.000	1	110.0307	0.096	4	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.8480	0.000	1	110.0307	0.096	4	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,1|S<2>,2|O<2>,4|H<1>}	108.7280	0.000	1	108.7280	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	109.9710	0.000	1	109.9710	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	109.6170	0.000	1	109.6170	0.000	1	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H){1|N<3>,5|C<4>,7|H<1>}	109.3110	0.154	2	109.3110	0.024	2	109.7088	0.394	44	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]O)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.3960	0.000	1	109.3960	0.000	1	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	109.0315	0.039	2	109.0315	0.002	2	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	109.2600	0.000	1	109.2600	0.000	1	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	109.9240	0.000	1	109.9240	0.000	1	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	109.6620	0.000	1	109.6620	0.000	1	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]3)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.7160	0.000	1	108.7160	0.000	1	109.3504	0.176	8	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	110.2985	0.166	2	110.2985	0.028	2	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	107.9555	0.233	2	107.9555	0.054	2	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.4320	0.195	2	109.4320	0.038	2	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H){4|C<4>,4|H<1>}	107.2930	0.000	1	107.2930	0.000	1	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	109.6090	0.000	1	109.6090	0.000	1	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.5735	0.473	10	109.5735	0.224	10	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.8260	0.000	1	109.8260	0.000	1	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	109.5924	0.374	5	109.5924	0.140	5	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	110.0540	0.000	1	110.0540	0.000	1	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){4|C<4>,7|H<1>}	109.1857	0.309	4	109.1857	0.095	4	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	109.7255	0.272	2	109.4709	1.380	13	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.1213	1.517	7	109.4709	1.380	13	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.9555	0.501	4	109.4709	1.380	13	109.4218	0.759	42	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	108.5300	0.000	1	108.5300	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	111.1970	0.000	1	111.1970	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	110.7840	0.000	1	110.7840	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<4>,4|H<1>}	111.0260	0.000	1	111.0260	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.6600	0.000	1	108.6600	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	109.1830	0.000	1	109.1830	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	110.6600	0.000	1	110.6600	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|C<4>,1|N<3>,5|H<1>}	111.5160	0.000	1	111.5160	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,5|H<1>}	110.8840	0.000	1	110.8490	0.002	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,1|C<4>,5|H<1>}	110.8140	0.000	1	110.8490	0.002	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,4|H<1>}	111.0610	0.000	1	111.0610	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.3480	0.000	1	110.3480	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,2|O<2>,4|H<1>}	107.3780	0.000	1	107.3780	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<4>,3|H<1>,3|O<2>}	111.3183	0.638	4	111.3183	0.407	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	108.0760	0.000	1	108.0760	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.6030	0.000	1	109.6030	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.2020	0.000	1	109.2020	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.7090	0.000	1	109.7090	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.2430	0.000	1	109.2430	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	104.8810	0.000	1	104.8810	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.3025	0.039	2	112.3025	0.002	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.6360	0.000	1	110.1495	4.419	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.6630	0.000	1	110.1495	4.419	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.5650	0.000	1	110.5650	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.0240	0.000	1	110.0240	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	115.0230	0.000	1	115.0230	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.5030	0.000	1	110.5030	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.0480	0.000	1	109.5797	0.227	24	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.4070	0.000	1	109.5797	0.227	24	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.9310	0.824	2	109.5797	0.227	24	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.1725	0.313	2	109.5797	0.227	24	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.4583	0.418	18	109.5797	0.227	24	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	106.2400	0.000	1	109.3790	8.058	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.7660	0.000	1	109.3790	8.058	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.1310	0.000	1	109.3790	8.058	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.3480	0.000	1	110.3480	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.7430	0.000	1	110.2954	0.916	26	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.1920	0.654	24	110.2954	0.916	26	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3300	0.000	1	110.2954	0.916	26	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	110.4590	0.000	1	110.4590	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.9705	0.357	4	109.9460	0.099	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<3>,3|H<1>}	109.8480	0.000	1	109.9460	0.099	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5]){2|C<4>,4|H<1>,5|C<3>}	107.5585	1.756	2	107.5585	3.083	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|Si<4>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|Si<4>,3|C<4>,3|H<1>}	107.4990	0.000	1	107.4990	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	108.7915	0.064	2	108.7915	0.004	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	108.6010	0.000	1	108.6010	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	109.0490	0.335	2	109.2237	0.148	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	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>}	109.5730	0.000	1	109.2237	0.148	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	109.0070	0.000	1	109.0070	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	109.5655	0.067	2	109.5655	0.005	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|H<1>}	108.8300	0.000	1	108.8300	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.1020	0.000	1	108.1020	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|C<4>,2|H<1>,3|O<2>}	109.4150	0.000	1	109.4150	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	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]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|O<2>}	109.1880	0.000	1	109.1880	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,3|H<1>,3|O<2>}	108.8660	0.000	1	108.8660	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.9450	0.000	1	109.9450	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|O<2>,4|H<1>}	113.1800	0.000	1	111.2755	7.254	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|O<2>,4|H<1>}	109.3710	0.000	1	111.2755	7.254	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){3|O<2>,4|H<1>}	109.6260	0.000	1	109.6260	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|O<2>,5|H<1>}	109.7485	0.455	2	109.7485	0.207	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	109.4580	0.000	1	109.6685	0.089	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	109.8790	0.000	1	109.6685	0.089	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	110.1138	0.635	5	110.1138	0.404	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){2|C<3>,2|O<2>,5|H<1>}	109.6810	0.000	1	109.6810	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){1|O<2>,1|S<2>,5|H<1>}	110.1385	0.585	2	110.1385	0.342	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	109.2090	0.000	1	109.2090	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.0645	1.012	2	111.0645	1.024	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	107.2670	0.000	1	107.0347	0.070	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	107.0910	0.000	1	107.0347	0.070	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	106.7460	0.000	1	107.0347	0.070	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	108.4910	0.000	1	108.4910	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|H<1>}	107.6240	0.000	1	107.6240	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|F<1>}	109.4560	0.000	1	109.4560	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	109.1280	0.000	1	109.1280	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.4570	0.000	1	109.5996	0.215	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.5410	0.045	2	109.5996	0.215	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.7295	0.893	2	109.5996	0.215	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6855	0.163	2	109.5447	0.340	8	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.2070	0.264	4	109.5447	0.340	8	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.8140	0.000	1	109.5447	0.340	8	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3450	0.000	1	109.5447	0.340	8	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.0945	0.276	2	108.0945	0.076	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	110.8520	0.074	2	110.8520	0.005	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.4480	0.095	2	109.4480	0.009	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	109.5940	0.000	1	109.5940	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH){3|H<1>,4|C<3>}	108.5400	0.000	1	108.5400	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.7837	0.427	4	109.7837	0.182	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.3110	0.000	1	110.3110	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5]){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.5600	0.979	2	109.5600	0.958	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.8490	0.000	1	109.8490	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.5590	0.102	2	110.5590	0.010	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	110.5120	0.000	1	110.5120	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<2>,3|C<4>}	110.5270	0.000	1	110.5270	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>}	111.8320	0.000	1	111.8320	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CoH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CoH)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Co<9>,1|C<3>,1|H<1>,2|C<4>}	110.8570	0.000	1	110.8570	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,4|C<3>}	110.2250	0.000	1	110.2250	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,4|C<3>}	109.7690	0.000	1	109.7690	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.3240	0.000	1	109.5330	0.087	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.7420	0.000	1	109.5330	0.087	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	111.5670	0.000	1	111.9748	5.429	6	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.0830	0.000	1	111.9748	5.429	6	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.3650	3.678	2	111.9748	5.429	6	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.9710	0.000	1	111.9748	5.429	6	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.4980	0.000	1	111.9748	5.429	6	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.3280	0.000	1	110.3280	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.4930	0.000	1	110.4930	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.2970	0.000	1	109.7827	0.395	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.3560	0.000	1	109.7827	0.395	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.2390	0.006	2	109.7827	0.395	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.5810	0.000	1	110.0285	0.401	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	110.4760	0.000	1	110.0285	0.401	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.9500	0.232	2	109.7522	0.351	22	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6090	0.000	1	109.7522	0.351	22	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.1645	0.064	4	109.7522	0.351	22	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6254	0.670	15	109.7522	0.351	22	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.3847	0.453	3	110.3847	0.205	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	108.8660	0.000	1	108.8660	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	107.7140	0.000	1	107.7140	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.8160	0.000	1	110.8160	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.0440	0.000	1	108.0440	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,2|C<4>,2|H<1>}	110.2165	0.395	2	110.2165	0.156	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	110.2630	0.000	1	110.5497	0.233	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.6930	0.585	2	110.5497	0.233	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.7160	0.000	1	110.0997	1.310	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	109.7915	1.432	2	110.0997	1.310	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.3575	1.015	2	109.9350	1.387	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.4130	0.000	1	109.9350	1.387	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.6120	0.000	1	109.9350	1.387	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.2860	0.000	1	112.2860	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Fe<7>,1|C<3>,1|H<1>,2|C<4>}	109.8190	0.000	1	109.8190	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Fe<7>,2|C<4>,2|H<1>}	110.4250	0.000	1	110.4250	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.8860	0.259	2	109.0662	1.238	9	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	106.6180	0.000	1	109.0662	1.238	9	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	108.5170	0.000	1	109.0662	1.238	9	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.1487	0.608	4	109.0662	1.238	9	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.0940	0.000	1	109.0662	1.238	9	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|I<1>,2|C<4>,2|H<1>}	110.6180	0.276	3	110.6180	0.076	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.2470	0.028	2	107.1905	8.922	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.3530	0.000	1	107.1905	8.922	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	102.9150	0.000	1	107.1905	8.922	4	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.9715	0.418	2	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.2150	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.2050	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.5830	0.898	2	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.2900	0.030	2	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.1600	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5630	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	109.9750	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.2710	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.9540	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.5040	0.673	2	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.1540	0.461	2	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.7760	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7160	0.255	3	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.1827	0.217	3	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.8049	0.528	15	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3480	0.000	1	109.7561	0.297	40	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	109.9160	0.000	1	109.9160	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	109.9020	0.000	1	109.9020	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.6680	0.000	1	110.1060	0.384	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	110.5440	0.000	1	110.1060	0.384	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	108.5400	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.7980	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.3220	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	109.1070	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.0880	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	108.5450	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.9220	0.000	1	109.4746	0.745	7	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.6850	0.000	1	109.6980	0.074	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.9770	0.000	1	109.6980	0.074	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.4320	0.000	1	109.6980	0.074	3	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	110.0330	1.430	2	110.0330	2.044	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7750	0.000	1	109.8659	0.340	16	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.9530	0.305	2	109.8659	0.340	16	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.0820	0.000	1	109.8659	0.340	16	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6743	0.442	12	109.8659	0.340	16	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.9595	0.675	2	109.7843	0.350	19	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.6510	2.109	2	109.7843	0.350	19	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.2480	0.000	1	109.7843	0.350	19	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.3970	0.201	4	109.7843	0.350	19	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	109.8845	0.173	10	109.7843	0.350	19	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<4>,1|O<2>,3|H<1>}	109.8610	0.000	1	109.8610	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.9380	0.000	1	109.9380	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.6174	0.679	5	109.6174	0.462	5	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|S<2>,3|H<1>}	108.9510	0.304	2	108.9510	0.092	2	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H)	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H){1|Cu<6>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	111.9390	0.000	1	111.9390	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.9440	0.000	1	109.9440	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.7480	0.000	1	109.7480	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.1970	0.000	1	110.1970	0.000	1	109.8050	1.326	351	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.5540	0.000	1	109.5540	0.000	1	109.7230	0.057	2	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.8920	0.000	1	109.8920	0.000	1	109.7230	0.057	2	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO){1|C<3>,1|C<4>,3|H<1>}	110.4790	0.000	1	110.4790	0.000	1	110.1517	0.082	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.9880	0.048	2	109.9880	0.002	2	110.1517	0.082	3	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]O[5]3)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]O[5]3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	109.4750	0.000	1	109.4750	0.000	1	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.6080	0.000	1	110.6080	0.000	1	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.5600	0.000	1	110.5600	0.000	1	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	110.1930	0.013	2	110.1930	0.000	2	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.8960	0.000	1	109.8020	0.054	3	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.7550	0.308	2	109.8020	0.054	3	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.6210	0.000	1	110.1570	0.431	2	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.6930	0.000	1	110.1570	0.431	2	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.8550	0.000	1	109.8550	0.000	1	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.1175	0.198	4	109.3626	0.126	9	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.0900	0.000	1	109.3626	0.126	9	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6230	0.410	2	109.3626	0.126	9	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7285	0.028	2	109.3626	0.126	9	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5250	0.000	1	109.5250	0.000	1	109.7330	0.258	21	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:P[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(P[5]C[6a]N[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	O[5](C[5,6]C[5,6]C[6,6]H)(P[5]C[6a]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	109.8017	1.321	712	109.7434	1.489	1147	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	N[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5])(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){3|C<3>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	H(C[5]O[5]2H)	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]O[5]HH)	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	H(C[5]O[5]2H)	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	110.1325	0.044	6	110.1325	0.002	6	110.1325	0.002	6	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(H)2	H(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]HH)	C[5](O[5]C[5,5])2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]HH){1|C<4>,2|H<1>,2|O<2>}	110.4580	0.010	2	110.4580	0.000	2	110.4660	0.000	4	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(H)2	H(C[5]O[5]2H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)	C[5](O[5]C[5,5])2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	110.4740	0.021	2	110.4740	0.000	2	110.4660	0.000	4	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	H(C[5]O[5]2H)	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	H(C[5]O[5]2H)	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH){3|H<1>,5|C<4>}	110.1048	0.044	6	110.1048	0.002	6	110.1764	0.037	7	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2	H(C[5]O[5]2H)	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH)	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]O[5]2H)	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>}	110.6060	0.000	1	110.6060	0.000	1	110.1764	0.037	7	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH){1|C<4>,2|H<1>,2|O<2>}	110.5510	0.018	2	110.6440	0.012	4	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	110.7370	0.024	2	110.6440	0.012	4	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{1|C<3>,2|C<4>}	H(C[5]O[5]2H)	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>}	110.5325	0.013	2	110.5325	0.000	2	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5835	0.250	2	110.5222	0.809	6	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<4>,1|O<2>,3|H<1>}	111.2040	1.076	2	110.5222	0.809	6	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	110.7790	0.010	2	110.5222	0.809	6	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]O[5]2H)	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>}	110.4745	0.008	2	110.4745	0.000	2	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)	C[5](O[5]C[5,6])2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	110.5445	0.013	2	110.5445	0.000	2	110.5507	0.276	16	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(H)2	H(C[5]O[5]2H)	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](O[5]C[5])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	110.0792	0.304	6	110.0792	0.092	6	110.0792	0.092	6	110.3307	0.168	40	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:2:1:	4:	4:4:	N[5]-2:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H)	H(C[5]N[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]N[5]HO)	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]N[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]N[5]HO){1|C<3>}	109.1950	0.000	1	109.1950	0.000	1	108.9620	0.041	3	109.4566	0.834	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:2:1:	4:	4:4:	N[5]-2:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H)	H(C[5]N[5]O[5]O)	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO)	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H){1|O<2>,2|C<3>}	H(C[5]N[5]O[5]O)	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO){3|C<3>}	108.8455	0.037	2	108.8455	0.001	2	108.9620	0.041	3	109.4566	0.834	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:2:1:	4:	4:4:	O[5]-2:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(OC)(H)	H(C[5]O[5]2O)	O[5](C[5]C[5]CH)(C[5]O[5]HO)	C[5](O[5]C[5])2(OC)(H){2|C<4>,2|H<1>}	H(C[5]O[5]2O)	O[5](C[5]C[5]CH)(C[5]O[5]HO){1|C<4>,1|H<1>}	110.1985	1.191	2	110.1985	1.420	2	110.1985	1.420	2	109.4566	0.834	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CC[6a]O)(H)	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5795	0.617	10	110.5795	0.380	10	110.5830	0.355	20	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CC[6a]O)(H)	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>}	110.5864	0.608	10	110.5864	0.370	10	110.5830	0.355	20	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	H(C[5]C[6]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	111.8200	0.000	1	112.8310	2.044	2	112.8310	2.044	2	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	H(C[5]C[6]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	113.8420	0.000	1	112.8310	2.044	2	112.8310	2.044	2	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	110.2900	2.212	2	110.2900	4.892	2	110.2900	4.892	2	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H){1|H<1>,3|C<3>,3|C<4>}	108.2440	0.000	1	108.2440	0.000	1	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.1500	0.441	2	110.1978	0.058	5	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	110.2265	0.169	2	110.1978	0.058	5	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<4>,2|H<1>,3|C<3>}	110.2360	0.000	1	110.1978	0.058	5	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	109.0680	0.000	1	108.9627	0.019	4	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	108.8520	0.000	1	108.9627	0.019	4	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){2|C<3>,3|H<1>,5|C<4>}	108.9655	0.186	2	108.9627	0.019	4	109.5084	0.606	10	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:3:1:	4:	4:4:	O[5]-2:S[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(COO)(H)	H(C[5]O[5]S[5]C)	O[5](C[5]C[5]HO)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(COO)(H){1|O<2>,3|H<1>}	H(C[5]O[5]S[5]C)	O[5](C[5]C[5]HO)(C[5]S[5]CH){2|H<1>}	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	110.3891	1.166	35	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CCHH)(H)	H(C[5]O[5]2C)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH)	C[5](O[5]C[5,5,6])2(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH){2|H<1>,3|C<4>}	110.0820	0.016	2	110.0820	0.000	2	110.0820	0.000	2	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.0305	0.131	2	110.0305	0.017	2	109.9627	0.013	6	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.8700	0.000	1	109.8700	0.000	1	109.9627	0.013	6	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	109.9483	0.123	3	109.9483	0.015	3	109.9627	0.013	6	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(H)	H(C[5]O[5]2C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.8980	0.000	1	109.8980	0.000	1	109.9060	0.000	2	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(H)	H(C[5]O[5]2C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	109.9140	0.000	1	109.9140	0.000	1	109.9060	0.000	2	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC3)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]CS)(C[5]O[5]CH)	C[5](O[5]C[5])2(CC3)(H){1|C<4>,1|O<1>,1|S<2>}	H(C[5]O[5]2C)	O[5](C[5]C[5]CS)(C[5]O[5]CH){1|O<1>}	109.4860	0.000	1	109.4860	0.000	1	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC3)(H)	H(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](O[5]C[5])2(CC3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|O<1>,2|C<3>}	109.0715	0.508	2	109.0715	0.258	2	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCCH)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCCH)(H){2|C<4>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	90.8573	0.005	2	90.8573	0.000	2	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<3>,1|H<1>}	109.1380	0.000	1	109.1240	0.000	2	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	109.1100	0.000	1	109.1240	0.000	2	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.3940	1.757	28	109.3940	3.086	28	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CHHP)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.5155	0.067	4	109.5155	0.004	4	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CN[5]HH)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CN[5]HH)(H){4|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.9860	0.047	2	109.9860	0.002	2	108.5039	18.486	41	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	H(C[5]O[5]S[5]C)	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]O[5]S[5]C)	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	108.6676	0.863	25	108.6676	0.746	25	108.7034	1.421	38	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	H(C[5]O[5]S[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]O[5]S[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	108.7725	1.698	13	108.7725	2.882	13	108.7034	1.421	38	108.7544	9.201	89	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.8430	0.181	4	110.8430	0.033	4	110.8430	0.033	4	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	105.0286	8.250	2	105.0286	68.057	2	105.0286	68.057	2	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.7760	0.025	2	110.7760	0.001	2	110.7760	0.001	2	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(C[5]O[5]O)(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.7240	0.010	2	110.7240	0.000	2	110.7240	0.000	2	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.8480	0.000	1	110.8513	0.001	3	110.7683	0.048	9	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.8530	0.035	2	110.8513	0.001	3	110.7683	0.048	9	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	110.6155	0.049	2	110.6155	0.002	2	110.7683	0.048	9	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	111.0630	0.027	2	111.0630	0.001	2	110.7683	0.048	9	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	4:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]H)(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,5|H<1>}	110.5020	0.013	2	110.5020	0.000	2	110.7683	0.048	9	110.1760	7.100	19	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:1:1:	4:	6:4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	Si[3x5]-6:C[5]-4:	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	111.6440	1.357	6	111.6440	1.841	6	111.6440	1.841	6	111.6440	1.841	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:2:1:	4:	4:4:	O[5]-2:C[5]-3:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	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>}	110.1320	0.000	1	110.1320	0.000	1	110.1320	0.000	1	109.8430	0.063	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:2:1:	4:	4:4:	O[5]-2:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[6a]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	109.8430	0.063	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:2:1:	4:	4:4:	O[5]-2:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.8430	0.063	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:3:1:	4:	4:4:	O[5]-2:C[5]-3:C-3:H-1:	C[5]-4:	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)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	110.7990	0.451	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:3:1:	4:	4:4:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.7990	0.451	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:3:1:	4:	4:4:	O[5]-2:C[5]-3:N-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H)	H(C[5]C[5]O[5]N)	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>}	H(C[5]C[5]O[5]N)	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>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.7990	0.451	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	108.7410	0.071	2	108.7410	0.005	2	109.1034	0.125	7	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	109.5550	0.163	2	109.5550	0.026	2	109.1034	0.125	7	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	109.0440	0.140	3	109.0440	0.020	3	109.1034	0.125	7	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	110.3720	0.045	2	110.3720	0.002	2	109.7275	0.921	4	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	108.3420	0.000	1	108.3420	0.000	1	109.7275	0.921	4	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	109.8240	0.000	1	109.8240	0.000	1	109.7275	0.921	4	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	110.5080	0.091	5	110.5080	0.008	5	110.4502	0.027	6	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|O<1>,2|C<4>,4|H<1>}	110.1610	0.000	1	110.1610	0.000	1	110.4502	0.027	6	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){1|Cl<1>,3|C<3>,3|H<1>,4|C<4>}	109.3617	0.372	3	109.2525	0.140	4	109.2525	0.140	4	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	4:4:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){2|Cl<1>,2|H<1>,3|C<3>,4|C<4>}	108.9250	0.000	1	109.2525	0.140	4	109.2525	0.140	4	109.6355	0.533	21	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:3:4:1:	4:	6:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:	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)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	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>}	110.8920	0.000	2	110.7216	0.017	22	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	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>}	110.7046	0.126	20	110.7216	0.017	22	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]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]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	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>}	111.2162	0.102	5	111.2162	0.010	5	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[4,5,6,6]C[5,5,6,6]O[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[4,5,6,6]C[5,5,6,6]O[5])(C[5]C[5]HH){3|H<1>,5|C<4>}	110.3132	0.211	4	110.3132	0.044	4	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.9839	0.237	8	110.9839	0.056	8	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	108.7575	5.189	4	108.7575	26.923	4	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]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]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	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>}	110.7045	0.351	4	109.4889	16.335	20	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]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]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	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>,4|H<1>}	107.0363	5.714	8	109.4889	16.335	20	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]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]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	111.3950	0.240	4	109.4889	16.335	20	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]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]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	111.2725	0.067	4	109.4889	16.335	20	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	111.1185	0.154	4	111.1185	0.024	4	110.3039	6.505	67	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	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]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	111.1352	0.253	16	111.1352	0.064	16	111.0255	0.106	20	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:1:1:	4:	4:4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.5865	0.174	4	110.5865	0.030	4	111.0255	0.106	20	110.4698	5.109	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:3:1:	4:	8:4:	O[5]-2:C[5]-4:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	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>}	108.8095	0.086	2	108.8095	0.007	2	108.8095	0.007	2	108.8095	0.007	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:4:1:	4:	4:4:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	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>}	110.4803	0.296	3	110.4803	0.087	3	110.4803	0.087	3	110.4803	0.087	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	2:4:4:1:	4:	5:4:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:	P[3x5,6]-5:C[5]-4:	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CH)	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CH){1|H<1>,1|O<2>,5|C<4>}	109.2930	0.259	2	109.2930	0.067	2	109.2930	0.067	2	109.2930	0.067	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	3:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](N[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]O){1|C<3>,1|C<4>}	110.6465	0.009	2	110.6465	0.000	2	110.6465	0.000	2	110.6465	0.000	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,5]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,5]O[5]H)	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>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<3>,2|C<4>}	111.0255	0.008	2	111.0255	0.000	2	110.8825	0.027	4	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	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>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<3>,2|O<2>}	110.7395	0.013	2	110.7395	0.000	2	110.8825	0.027	4	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2{2|C<3>}	110.8705	0.016	2	111.0358	0.039	6	111.1672	0.087	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2{1|C<3>,1|N<3>}	111.2855	0.039	2	111.0358	0.039	6	111.1672	0.087	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2{2|C<3>}	110.9515	0.012	2	111.0358	0.039	6	111.1672	0.087	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	O[5](C[5]C[5,5a]HH)2{1|C<3>,1|N<3>}	111.5615	0.006	2	111.5615	0.000	2	111.1672	0.087	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	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>}	107.8885	0.517	2	107.8885	0.267	2	107.8885	0.267	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	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>}	110.8740	0.041	2	110.8740	0.002	2	110.2829	3.961	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	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>}	111.2670	0.042	4	111.2670	0.002	4	110.2829	3.961	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	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>}	110.9040	0.023	2	110.9040	0.001	2	110.2829	3.961	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<3>}	107.1025	3.173	2	107.1025	10.067	2	110.2829	3.961	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>}	110.8777	0.076	4	110.8192	0.006	9	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	110.7630	0.045	4	110.8192	0.006	9	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>}	110.8100	0.000	1	110.8192	0.006	9	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>}	110.7925	0.006	2	110.7127	0.009	4	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	110.6330	0.018	2	110.7127	0.009	4	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){2|C<4>}	110.8000	0.014	2	110.8000	0.000	2	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	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>}	110.8485	0.029	2	110.7190	0.023	4	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]H)	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>}	H(C[5]C[5,6]O[5]H)	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>}	110.5895	0.047	2	110.7190	0.023	4	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	108.8410	2.983	4	108.8410	8.901	4	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	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>}	110.7300	0.205	4	110.6993	0.028	6	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	110.6380	0.024	2	110.6993	0.028	6	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<3>}	109.5770	2.734	2	109.5770	7.473	2	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>,1|N<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>}	110.8023	0.012	3	110.6976	0.018	7	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|H<1>,2|C<3>}	110.5195	0.077	2	110.6976	0.018	7	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6]-3:O[5]-2:H-1:H-1:	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	H(C[5]C[5,6]O[5]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>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>}	110.7185	0.050	2	110.6976	0.018	7	110.4815	1.331	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](B[5]C[5,6a]OO)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]O[5]H)	O[5](B[5]C[5,6a]OO)(C[5]C[5,6a]HH){2|C<3>}	109.3270	1.325	2	109.3270	1.756	2	109.3270	1.756	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]HH){1|C<4>,4|C<3>}	110.9745	0.073	2	110.9745	0.005	2	110.0682	3.325	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH){2|C<3>,2|H<1>,4|C<4>}	110.9310	0.017	2	110.9310	0.000	2	110.0682	3.325	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.1838	2.381	4	109.1838	5.671	4	110.0682	3.325	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	110.8130	0.000	1	110.8130	0.000	1	110.6798	0.125	20	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH){6|C<3>}	110.4406	0.527	7	110.4406	0.278	7	110.6798	0.125	20	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH){2|C<3>,2|C<4>,4|H<1>}	110.7583	0.112	4	110.7583	0.012	4	110.6798	0.125	20	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	110.8247	0.091	6	110.8333	0.006	8	110.6798	0.125	20	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,4|C<3>}	110.8590	0.031	2	110.8333	0.006	8	110.6798	0.125	20	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.7713	0.114	14	110.7713	0.013	14	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.6303	0.070	6	110.6303	0.005	6	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	110.7020	0.000	1	110.0370	0.563	3	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	109.7045	0.680	2	110.0370	0.563	3	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH){2|C<3>}	110.8570	0.013	2	110.8570	0.000	2	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH){1|C<4>,3|C<3>}	110.6560	0.013	2	110.6560	0.000	2	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	111.0865	0.142	4	110.8669	0.044	10	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	110.7205	0.051	6	110.8669	0.044	10	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.6277	0.025	3	110.5270	0.492	83	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.8872	0.085	5	110.5270	0.492	83	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.6250	0.063	3	110.5270	0.492	83	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.6494	0.169	5	110.5270	0.492	83	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.3380	0.928	43	110.5270	0.492	83	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	110.7400	0.162	24	110.5270	0.492	83	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]HH)2{2|C<3>}	111.6930	5.712	2	111.6930	32.627	2	110.6025	0.659	122	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|B<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	O[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH){4|C<3>}	109.8525	0.370	2	109.8525	0.137	2	109.8525	0.137	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	Si[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(H)2	H(C[5]C[5,6a]O[5]H)	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]HH){2|C<3>}	109.8105	0.059	2	109.8105	0.003	2	109.8105	0.003	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.7810	0.007	2	110.7810	0.000	2	110.7810	0.000	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6a]N[4])(C[5]C[5]HH){1|Cl<1>,5|C<3>}	110.3045	0.028	2	110.3045	0.001	2	110.3045	0.001	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.6835	0.011	2	110.6835	0.000	2	110.6835	0.000	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.5450	0.051	2	110.5450	0.003	2	111.1729	1.872	7	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	112.8300	1.802	2	112.8300	3.246	2	111.1729	1.872	7	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.4620	0.000	1	110.4620	0.000	1	111.1729	1.872	7	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.4990	0.536	2	110.4990	0.287	2	111.1729	1.872	7	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.5845	0.040	2	110.5845	0.002	2	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH){1|O<1>,3|C<4>}	110.5320	0.029	4	110.5320	0.001	4	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.9453	0.244	20	110.9345	0.055	22	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	110.8270	0.042	2	110.9345	0.055	22	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.6365	0.012	2	110.6365	0.000	2	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	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>}	110.6470	0.010	2	110.6470	0.000	2	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.4330	0.020	2	110.5150	0.014	5	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.5697	0.132	3	110.5150	0.014	5	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	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>}	110.6250	0.000	1	110.6250	0.000	1	110.7796	0.068	38	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]HH){3|C<3>}	110.7155	0.021	2	110.7155	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	110.6560	0.028	2	110.6560	0.001	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.9235	0.066	2	110.7382	0.022	6	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.6455	0.034	4	110.7382	0.022	6	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|C<4>}	110.5565	0.082	4	110.5565	0.007	4	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	111.5068	2.102	6	111.5068	4.418	6	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|O<2>,2|C<3>}	110.4875	0.223	4	110.5501	0.027	25	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	110.5575	0.168	12	110.5501	0.027	25	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|O<2>}	110.7340	0.027	2	110.5501	0.027	25	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|H<1>}	110.5207	0.128	7	110.5501	0.027	25	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	110.6115	0.012	2	110.6115	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	110.5680	0.013	2	110.5680	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.7465	0.008	2	110.7465	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|Si<4>,1|H<1>}	109.5250	4.432	2	109.5250	19.644	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{2|H<1>}	110.2850	0.423	7	109.9403	0.548	17	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{3|H<1>}	109.6990	0.835	10	109.9403	0.548	17	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,3|C<3>}	110.9540	0.011	2	110.9540	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>}	110.6085	0.016	2	110.6085	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	110.7365	0.006	2	110.7365	0.000	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>}	111.1400	0.033	2	111.1400	0.001	2	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	110.7174	0.160	7	110.7174	0.026	7	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[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>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>}	110.8870	0.096	4	110.8870	0.009	4	110.5565	0.767	89	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH){1|C<2>,3|C<3>}	109.6450	0.028	2	109.6608	0.002	4	109.6608	0.002	4	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH){1|C<4>,3|C<3>}	109.6765	0.066	2	109.6608	0.002	4	109.6608	0.002	4	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5,5]-3:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2	H(C[5]N[5,5]O[5]H)	O[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]HH)	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,5]O[5]H)	O[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]HH){6|C<3>}	110.9740	0.020	2	110.9740	0.000	2	110.9740	0.000	2	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]N[5,6]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	110.7157	0.103	4	110.7157	0.011	4	110.6801	0.008	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]N[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	110.6445	0.064	4	110.6445	0.004	4	110.6801	0.008	8	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.3855	0.116	4	110.3855	0.013	4	110.3855	0.013	4	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|H<1>,2|C<4>}	110.6980	0.038	2	110.6980	0.001	2	110.5212	0.167	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.0785	0.210	4	110.3653	0.224	6	110.5212	0.167	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.9390	0.051	2	110.3653	0.224	6	110.5212	0.167	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	4:4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](N[5]C[5]S)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|C<3>,1|H<1>,1|S<4>}	110.8120	0.057	2	110.8120	0.003	2	110.5212	0.167	10	110.5676	0.807	386	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	5:4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	Si[5]-5:C[5]-4:	C[5](C[5]O[5]O)(O[5]Si[5])(H)2	H(C[5]C[5]O[5]H)	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>}	H(C[5]C[5]O[5]H)	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	110.2195	0.689	4	110.2195	0.475	4	110.2195	0.475	4	110.2195	0.475	4	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:1:1:	4:	6:4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	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	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]H)	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>}	108.7133	0.043	4	108.7133	0.002	4	108.7133	0.002	4	108.7133	0.002	4	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[5]-3:O[5]-2:N-2:H-1:	C[5]-4:	C[5]-4:S[5]-3:	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	H(C[5]C[5]O[5]N)	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>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HN)(S[5]C[5]O){2|C<3>}	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	108.4940	6.736	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:3:	C[6a]-3:N[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C){3|C<3>}	109.9905	0.186	2	109.9905	0.035	2	109.9905	0.035	2	108.4940	6.736	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]O)	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>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|C<3>,2|C<4>}	111.2030	0.000	1	111.2030	0.000	1	109.9630	3.075	2	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]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>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<3>}	108.7230	0.000	1	108.7230	0.000	1	109.9630	3.075	2	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]O)	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>}	111.1913	0.140	3	111.1913	0.020	3	110.7777	0.186	7	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]O)	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>}	110.4675	0.243	4	110.4675	0.059	4	110.7777	0.186	7	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	110.3407	0.240	4	110.3407	0.058	4	110.4998	0.114	6	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO){4|C<3>}	110.6020	0.000	1	110.6020	0.000	1	110.4998	0.114	6	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	111.0340	0.000	1	111.0340	0.000	1	110.4998	0.114	6	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	110.1650	0.300	2	110.1650	0.090	2	110.1650	0.090	2	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]2O)(C[5]C[5]HO){1|C<4>,1|O<2>,3|H<1>}	110.7620	0.000	1	110.7620	0.000	1	110.5856	0.060	5	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]N[5]HO){1|C<3>}	110.2100	0.000	1	110.2100	0.000	1	110.5856	0.060	5	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	H(C[5]C[5]O[5]O)	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>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	110.6520	0.167	3	110.6520	0.028	3	110.5856	0.060	5	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]2)(O[5]C[5])2(H)	H(C[5]C[5a]O[5]2)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)	C[5](C[5a]C[5a]2)(O[5]C[5])2(H){1|S<2>,2|C<3>,5|H<1>}	H(C[5]C[5a]O[5]2)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.1657	0.123	3	110.1657	0.015	3	110.2040	0.016	4	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(H)	H(C[5]C[5a]O[5]2)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(H){3|H<1>,4|C<3>}	H(C[5]C[5a]O[5]2)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH){1|H<1>,1|S<2>,2|C<3>}	110.3190	0.000	1	110.3190	0.000	1	110.2040	0.016	4	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(O[5]C[5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(O[5]C[5])2(H){1|Re<6>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.6555	0.301	2	109.6555	0.090	2	109.6555	0.090	2	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:N[5]-2:H-1:	C[5]-4:	C[5]-4:C[5,5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]O[5])	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>}	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	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>}	111.5270	0.000	1	110.1834	0.823	5	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	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>}	109.8475	0.587	4	110.1834	0.823	5	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.0990	0.000	1	110.0235	0.011	2	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.9480	0.000	1	110.0235	0.011	2	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	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>}	110.1170	0.000	1	110.1170	0.000	1	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	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>}	111.4465	0.405	2	109.9227	3.919	6	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,3|C<3>,3|H<1>}	108.4555	3.236	2	109.9227	3.919	6	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.8620	0.000	1	109.9227	3.919	6	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.8700	0.000	1	109.9227	3.919	6	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H){1|H<1>,2|C<3>,2|C<4>}	108.5430	0.000	1	108.5430	0.000	1	109.9440	1.799	15	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.4870	0.249	2	110.2310	0.548	5	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.8365	0.463	2	110.2310	0.548	5	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.5080	0.000	1	110.2310	0.548	5	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7660	0.000	1	109.7660	0.000	1	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,3|C<3>}	111.4670	0.000	1	111.4670	0.000	1	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	109.4985	0.211	2	108.8476	4.262	7	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	109.7380	0.000	1	108.8476	4.262	7	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	105.1670	0.000	1	108.8476	4.262	7	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.6080	0.098	2	108.8476	4.262	7	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,4|C<3>}	106.8150	0.000	1	108.8476	4.262	7	109.5944	2.864	14	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	110.1200	0.223	2	110.1200	0.050	2	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.0870	0.216	2	110.0870	0.047	2	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC){4|C<3>}	110.2178	0.896	5	110.2178	0.803	5	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<2>,3|C<3>}	109.9830	0.000	1	110.0453	0.025	3	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|S<2>,2|C<2>,3|C<3>}	109.9290	0.000	1	110.0453	0.025	3	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	110.2240	0.000	1	110.0453	0.025	3	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){1|H<1>,5|C<3>}	109.0945	0.047	2	109.5393	0.595	3	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	110.4290	0.000	1	109.5393	0.595	3	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|N<3>,4|C<3>}	109.4080	0.000	1	109.7458	0.228	13	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	109.9610	0.063	3	109.7458	0.228	13	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	110.2430	0.000	1	109.7458	0.228	13	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	109.1330	0.076	2	109.7458	0.228	13	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	109.7638	0.582	5	109.7458	0.228	13	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	110.0760	0.000	1	109.7458	0.228	13	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	110.6715	2.051	2	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.4040	0.000	1	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	110.2380	0.000	1	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<2>,2|C<3>}	110.2260	0.000	1	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.9587	0.047	3	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.1250	0.000	1	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	110.4325	1.244	2	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){4|C<3>}	110.3930	0.000	1	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.8690	0.467	8	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.0230	0.000	1	110.1164	0.443	21	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	110.1923	0.549	4	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>}	110.1360	0.000	1	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>}	108.7470	0.000	1	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	108.7780	0.000	1	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.1085	0.600	2	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|F<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	110.0490	0.028	2	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	109.4159	1.556	12	109.6407	1.467	23	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN){1|H<1>,3|C<3>}	109.4120	0.000	1	109.4120	0.000	1	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.2575	0.019	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.1020	0.523	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.6160	0.024	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.8233	0.491	8	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.1820	0.017	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.6835	0.008	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.1050	0.446	8	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Se<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.4903	0.510	4	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.8067	0.121	4	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|C<3>,5|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.9620	0.008	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	H(C[5]C[6a]O[5]2)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.1020	0.045	2	109.8006	0.203	38	109.8466	0.547	111	109.9217	0.844	169	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	3:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,1|H<1>,3|C<3>}	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	C[5,6]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	H(C[5]C[5,6]O[5]C)	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>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){2|C<4>}	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|C<4>}	109.6705	0.183	2	109.6705	0.034	2	109.6705	0.034	2	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	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>}	109.7910	0.000	1	109.7533	0.069	3	109.7533	0.069	3	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	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>}	109.7345	0.368	2	109.7533	0.069	3	109.7533	0.069	3	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	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>}	108.7030	1.735	2	108.7030	3.011	2	108.7030	3.011	2	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	109.0330	0.530	22	109.0330	0.281	22	109.0330	0.281	22	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	H(C[5]N[5,5a]O[5]C)	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	H(C[5]N[5,5a]O[5]C)	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH){2|C<3>}	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	H(C[5]N[5]O[5]C)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]N[5]O[5]C)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH){1|C<4>,1|H<1>,5|C<3>}	108.5270	0.119	2	108.5270	0.014	2	108.5270	0.014	2	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	109.2110	0.000	1	109.5150	0.185	2	109.9027	0.543	3	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	109.8190	0.000	1	109.5150	0.185	2	109.9027	0.543	3	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:3:1:	4:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]N[5]CH){1|O<1>,1|O<2>}	110.6780	0.000	1	110.6780	0.000	1	109.9027	0.543	3	109.1994	0.464	36	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,5]-3:O[5]-2:C-4:H-1:	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)	H(C[5]C[5,5]O[5]C)	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>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	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>}	H(C[5]C[5,6]O[5]C)	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH){2|C<3>,2|C<4>}	108.7175	0.407	4	108.7175	0.166	4	108.7175	0.166	4	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	H(C[5]C[5,6]O[5]C)	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>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>}	107.9560	0.000	1	107.9560	0.000	1	107.9560	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH){1|C<4>,5|C<3>}	110.5680	0.000	1	110.5680	0.000	1	109.1999	0.338	13	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	109.1763	0.225	3	109.1763	0.051	3	109.1999	0.338	13	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	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>}	109.9840	0.000	1	109.9840	0.000	1	109.1999	0.338	13	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]CH){2|C<3>,2|C<4>,2|H<1>}	108.9200	0.000	1	108.9200	0.000	1	109.1999	0.338	13	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	108.9426	0.393	7	108.9426	0.154	7	109.1999	0.338	13	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO){2|C<3>}	110.3850	0.000	1	110.3850	0.000	1	109.6003	0.394	6	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)2{2|C<3>}	109.9840	0.000	1	109.9840	0.000	1	109.6003	0.394	6	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	108.8460	0.000	1	108.8460	0.000	1	109.6003	0.394	6	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP){2|C<3>}	109.3200	0.000	1	109.3200	0.000	1	109.6003	0.394	6	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)2{2|C<3>}	109.0080	0.000	1	109.0080	0.000	1	109.6003	0.394	6	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	110.0590	0.000	1	110.0590	0.000	1	109.6003	0.394	6	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5,6a]-3:O[5]-2:P-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H)	H(C[5]C[5,6a]O[5]P)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]P)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP){2|C<3>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	116.4860	0.000	1	116.4860	0.000	1	110.7007	26.723	3	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	106.5350	0.000	1	106.5350	0.000	1	110.7007	26.723	3	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	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>}	109.0810	0.000	1	109.0810	0.000	1	110.7007	26.723	3	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	109.2470	0.388	3	109.2470	0.150	3	109.1743	0.453	10	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>}	109.7040	0.615	2	109.7040	0.378	2	109.1743	0.453	10	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.5350	0.000	1	108.5350	0.000	1	109.1743	0.453	10	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	108.3820	0.618	2	108.3820	0.382	2	109.1743	0.453	10	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|O<1>,2|C<4>}	109.2450	0.000	1	109.2450	0.000	1	109.1743	0.453	10	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|O<1>}	110.0500	0.000	1	110.0500	0.000	1	109.1743	0.453	10	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	Ga[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	H(C[5]C[5]O[5]C)	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>}	H(C[5]C[5]O[5]C)	O[5](Ga[5]O[5]CC)(C[5]C[5]CH){1|O<1>}	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	110.9930	0.000	1	110.9930	0.000	1	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	109.3425	1.927	10	109.6664	2.902	14	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	110.4760	0.460	4	109.6664	2.902	14	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	111.0610	0.000	1	110.6855	1.590	10	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	111.3320	1.247	4	110.6855	1.590	10	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<3>,1|C<4>,1|H<1>}	109.4230	0.061	2	110.6855	1.590	10	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]N[5,5]O[5]C)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	110.5400	1.513	3	110.6855	1.590	10	110.1271	2.453	25	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	H(C[5]N[5,6,6]O[5]C)	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6,6]O[5]C)	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH){1|C<4>,2|C<3>}	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	H(C[5]N[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	H(C[5]N[5]O[5]C)	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>}	100.7670	0.000	1	100.7670	0.000	1	100.7670	0.000	1	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CH){1|H<1>,2|C<3>}	109.0080	0.000	1	109.0080	0.000	1	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	109.0260	0.100	2	108.5943	0.564	3	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	107.7310	0.000	1	108.5943	0.564	3	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	109.8550	0.000	1	109.8550	0.000	1	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	110.2307	0.209	3	110.2307	0.044	3	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	110.1840	0.000	1	110.1840	0.000	1	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>}	108.2580	0.061	2	108.2580	0.004	2	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	109.5350	0.000	1	109.5350	0.000	1	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	110.0695	0.784	2	110.0695	0.615	2	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|Si<4>,1|C<3>,1|C<4>}	109.1860	0.000	1	109.1860	0.000	1	109.3932	0.743	15	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	4:4:	O[5]-3:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H){4|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH){1|Mg<6>,2|H<1>}	111.4303	0.465	3	111.4303	0.216	3	111.4303	0.216	3	109.5278	2.998	87	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	5:4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:	As[5,5]-5:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	H(C[5]C[6a]C[5]O[5])	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	108.6040	0.052	2	108.6040	0.003	2	108.6040	0.003	2	108.5600	0.007	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:2:4:1:	4:	5:4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:	Si[5,5]-5:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	H(C[5]C[6a]C[5]O[5])	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.5600	0.007	3	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|C<4>,4|C<3>}	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5,5]C[6a]O[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>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2{2|S<2>,4|C<3>}	109.7127	0.493	8	109.7127	0.243	8	109.7127	0.243	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5,6]C[5a]O[5])	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>}	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	109.5185	2.722	2	109.5185	7.407	2	109.5185	7.407	2	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5,6]C[6a]O[5])	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>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH){1|C<4>,3|C<3>}	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	108.8265	0.042	2	108.8265	0.002	2	108.9956	0.071	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){4|C<3>,5|H<1>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	109.3047	0.073	3	109.3047	0.005	3	108.9956	0.071	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO){4|C<3>}	108.8900	0.000	1	108.8900	0.000	1	108.9956	0.071	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)2{6|C<3>}	108.7540	0.106	2	108.7540	0.011	2	108.9956	0.071	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CW)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CW){4|C<3>}	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:Si[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(Si[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]H)(Si[5]C[5,6a]CC){4|C<3>}	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	Si[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]N[5])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){1|C<5>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]N[5])(C[5]C[5,6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,5|C<3>}	108.2250	0.000	1	108.2250	0.000	1	108.5890	0.265	2	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	Si[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](Si[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](Si[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C[6a]H){4|Si<4>,2|C<4>,4|C<3>}	108.9530	0.000	1	108.9530	0.000	1	108.5890	0.265	2	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	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>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,4|C<3>}	110.0000	0.000	1	110.0000	0.000	1	109.3746	0.223	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.7670	0.148	2	108.7670	0.022	2	109.3746	0.223	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	109.4472	0.316	4	109.4472	0.100	4	109.3746	0.223	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5a]N[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>,2|C<4>}	109.6740	0.000	1	109.6740	0.000	1	109.3746	0.223	8	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6]-3:O[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H)	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	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>}	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.0715	0.316	2	109.0715	0.100	2	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	109.3450	0.000	1	109.6750	0.049	4	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	109.7845	0.049	2	109.6750	0.049	4	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.7860	0.000	1	109.6750	0.049	4	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{2|H<1>,5|C<3>}	109.3980	0.000	1	109.3980	0.000	1	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.2654	0.149	5	109.2654	0.022	5	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	108.9490	0.000	1	108.9490	0.000	1	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	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>}	109.7370	0.000	1	109.7370	0.000	1	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){3|C<3>}	110.5900	0.000	1	110.5900	0.000	1	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC){1|O<1>,3|C<3>}	101.9710	0.000	1	101.9710	0.000	1	108.9884	3.677	16	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){4|C<3>,4|H<1>}	108.3955	0.367	2	108.3955	0.135	2	109.0985	1.254	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,3|H<1>,4|C<3>}	109.8015	1.285	2	109.8015	1.651	2	109.0985	1.254	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	108.7307	0.114	3	108.7307	0.013	3	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	109.5773	0.349	3	109.5538	0.072	10	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	109.4527	0.367	3	109.5538	0.072	10	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	109.6120	0.174	4	109.5538	0.072	10	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	109.9912	0.364	5	109.9912	0.132	5	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	109.9400	0.000	1	109.9400	0.000	1	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	106.6940	0.000	1	108.6183	2.798	3	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>}	109.4360	0.000	1	108.6183	2.798	3	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	109.7250	0.000	1	108.6183	2.798	3	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	110.2710	0.355	3	110.2710	0.126	3	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN){1|O<1>,1|S<4>,2|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	110.6540	0.000	1	110.6540	0.000	1	109.5647	0.601	27	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	108.3700	0.000	1	105.6655	14.629	2	110.3793	16.069	9	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	102.9610	0.000	1	105.6655	14.629	2	110.3793	16.069	9	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	109.3270	0.000	1	111.7261	9.464	7	110.3793	16.069	9	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	112.5912	3.301	5	111.7261	9.464	7	110.3793	16.069	9	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	109.8000	0.000	1	111.7261	9.464	7	110.3793	16.069	9	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,6,6]C[6a]O[5])	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,6,6]C[6a]O[5])	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH){1|C<4>,4|C<3>}	109.0325	1.170	4	109.0325	1.368	4	109.0325	1.368	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	109.9400	0.000	1	109.9400	0.000	1	108.5460	4.674	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,6]C[6a]O[5])	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[6a]O[5])	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	108.0813	2.391	3	108.0813	5.716	3	108.5460	4.674	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC){5|C<3>}	110.4430	0.000	1	110.4430	0.000	1	109.8203	0.337	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	109.9590	0.000	1	109.9590	0.000	1	109.8203	0.337	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){4|C<3>}	109.8350	0.000	1	109.8350	0.000	1	109.8203	0.337	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	109.0440	0.000	1	109.0440	0.000	1	109.8203	0.337	4	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	4:4:	N[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	109.3610	2.487	105	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:3:2:1:	4:	5:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:	P[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[5,6a]C[6a]O[5])	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){3|H<1>,7|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]H){10|C<3>}	108.3085	0.226	2	108.3085	0.051	2	108.3085	0.051	2	108.3085	0.051	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C){2|C<3>}	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5]){1|S<2>,2|H<1>,5|C<3>}	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	108.5850	0.426	4	108.5850	0.182	4	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	109.5865	0.152	2	109.6275	0.059	4	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	109.6685	0.384	2	109.6275	0.059	4	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	109.9230	0.130	2	109.9230	0.017	2	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){2|H<1>,3|C<3>}	105.4750	0.000	1	105.4750	0.000	1	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	109.7290	0.528	2	109.7290	0.278	2	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	110.7330	0.000	1	109.7085	2.099	2	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){4|C<3>,4|H<1>}	108.6840	0.000	1	109.7085	2.099	2	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.0990	0.000	1	109.6845	0.344	2	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|H<1>,5|C<3>}	109.2700	0.000	1	109.6845	0.344	2	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<2>,3|H<1>,4|C<3>}	108.9230	0.000	1	108.9230	0.000	1	109.1854	1.309	18	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	109.0929	1.263	22	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5,6]C[5]O[5])	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>}	H(C[5]C[5,6]C[5]O[5])	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>}	110.0790	0.000	1	109.8655	0.091	2	109.8655	0.091	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-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)	H(C[5]C[5,6]C[5]O[5])	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>}	H(C[5]C[5,6]C[5]O[5])	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>}	109.6520	0.000	1	109.8655	0.091	2	109.8655	0.091	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH){2|C<3>}	112.2035	0.327	2	112.2035	0.107	2	112.2035	0.107	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5]O[5])	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]O[5])	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H)	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6]O[5])	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	109.2313	0.847	4	109.2313	0.717	4	109.2313	0.717	4	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[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>}	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<2>,3|C<4>,6|H<1>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	108.9110	0.467	2	109.0570	0.119	4	109.0570	0.119	4	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	109.2030	0.229	2	109.0570	0.119	4	109.0570	0.119	4	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	109.9740	0.000	1	109.9740	0.000	1	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	109.3253	0.208	6	109.1856	0.473	10	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	109.6690	0.000	1	109.1856	0.473	10	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	108.7450	1.247	3	109.1856	0.473	10	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]ReC)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]ReC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.6430	0.000	1	108.6430	0.000	1	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.7250	0.206	2	108.7250	0.043	2	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<2>,3|C<3>}	109.3630	0.000	1	109.3630	0.000	1	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|S<2>,2|C<2>,3|C<3>}	109.1510	0.000	1	109.1510	0.000	1	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,3|O<2>}	109.3110	0.000	1	109.3110	0.000	1	109.1616	0.355	17	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H){2|C<3>,5|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.6120	0.000	1	108.6120	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.2790	0.000	1	109.2790	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Cu<6>,1|C<3>,1|N<3>,3|H<1>}	110.3660	0.000	1	110.3660	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<3>,1|N<3>,3|H<1>}	109.6580	0.000	1	109.6580	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.2910	0.000	1	109.2910	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.3475	1.484	2	108.3475	2.203	2	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H){2|C<3>,5|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.4135	0.721	2	111.4135	0.519	2	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	110.0970	0.000	1	110.0970	0.000	1	109.6613	1.443	11	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7515	0.064	2	107.7515	0.004	2	107.7515	0.004	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.7535	0.569	2	108.7535	0.324	2	108.7535	0.324	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	109.4230	0.000	1	109.4230	0.000	1	109.4020	0.001	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	109.3810	0.000	1	109.3810	0.000	1	109.4020	0.001	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	108.3955	0.407	2	108.3955	0.165	2	108.3955	0.165	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	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]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,7|H<1>}	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	107.8270	0.000	1	107.8270	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	106.7910	0.000	1	107.6400	0.697	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	108.4600	0.000	1	107.6400	0.697	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	107.6690	0.000	1	107.6400	0.697	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	108.3395	0.917	2	108.1462	0.261	5	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	108.0173	0.197	3	108.1462	0.261	5	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	108.1320	0.000	1	108.1320	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	108.6480	0.000	1	108.6480	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.4160	0.000	1	109.0815	0.224	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	108.7470	0.000	1	109.0815	0.224	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	106.9900	0.000	1	106.9900	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.1150	0.000	1	108.4838	0.285	6	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.4550	0.000	2	108.4838	0.285	6	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	109.5300	0.000	1	108.4838	0.285	6	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	108.1740	0.033	2	108.4838	0.285	6	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	108.8310	0.302	3	108.8310	0.091	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]ReC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]ReC){2|H<1>,3|C<3>}	107.2010	0.000	1	107.2010	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	108.6781	1.297	8	108.6602	1.038	18	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.6690	0.000	1	108.6602	1.038	18	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{3|H<1>,5|C<3>}	108.1015	0.626	2	108.6602	1.038	18	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	108.4506	0.852	5	108.6602	1.038	18	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{2|H<1>,6|C<3>}	109.1665	0.448	2	108.6602	1.038	18	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.4920	0.257	4	108.3404	0.142	21	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	108.2719	0.406	15	108.3404	0.142	21	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3440	0.000	1	108.3404	0.142	21	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,4|C<3>}	108.7570	0.000	1	108.3404	0.142	21	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	109.4980	0.000	1	109.4980	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	108.9050	0.000	1	108.9050	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2850	0.000	2	108.9908	0.448	14	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.5348	0.811	4	108.9908	0.448	14	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.5095	0.364	2	108.9908	0.448	14	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	109.0060	0.124	2	108.9908	0.448	14	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.1660	0.000	1	108.9908	0.448	14	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.9883	1.032	3	108.9908	0.448	14	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.1480	0.000	1	109.4240	0.152	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.7000	0.000	1	109.4240	0.152	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	108.8700	0.000	1	108.6605	0.088	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|C<4>,2|C<3>,3|H<1>}	108.4510	0.000	1	108.6605	0.088	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{2|H<1>,5|C<3>}	109.2470	0.000	1	109.4150	0.051	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{3|H<1>,5|C<3>}	109.4990	0.243	2	109.4150	0.051	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	108.8810	0.000	1	108.8810	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8280	0.000	1	109.4879	2.874	16	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.6163	2.201	3	109.4879	2.874	16	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.3260	0.000	1	109.4879	2.874	16	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.1202	1.928	8	109.4879	2.874	16	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.1970	0.000	1	109.4879	2.874	16	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.3225	0.121	2	109.4879	2.874	16	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.4600	0.000	1	108.4600	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	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>}	110.1505	0.175	2	110.1505	0.031	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	108.7023	1.195	3	108.7023	1.427	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|S<3>,2|C<3>,3|H<1>}	109.3870	0.000	1	109.3870	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	108.1223	1.085	3	108.1223	1.178	3	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	108.5520	0.270	4	108.5731	0.062	7	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>,2|C<4>}	108.7220	0.000	1	108.5731	0.062	7	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.5410	0.359	2	108.5731	0.062	7	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.2965	0.844	2	108.2965	0.712	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	108.6370	0.495	10	108.6370	0.245	10	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,4|C<3>}	108.4340	0.000	1	108.4340	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){1|S<4>,2|C<3>,2|H<1>}	109.8640	0.000	1	109.1970	0.890	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	108.5300	0.000	1	109.1970	0.890	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	108.7025	0.042	2	108.7025	0.002	2	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	108.9950	0.000	1	108.9228	0.246	12	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	108.6360	0.297	3	108.9228	0.246	12	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	109.2682	0.535	5	108.9228	0.246	12	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	108.6097	0.345	3	108.9228	0.246	12	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.2540	0.000	1	110.2540	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|N<3>,4|C<3>}	106.8880	0.000	1	106.8880	0.000	1	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.5700	1.250	4	109.5700	1.562	4	108.7545	0.874	156	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	108.1963	0.259	6	108.1963	0.067	6	108.3416	0.062	12	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO){1|H<1>,2|C<3>,2|C<4>}	108.5192	0.122	5	108.5192	0.015	5	108.3416	0.062	12	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]N[5]NO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]N[5]NO){1|H<1>,2|C<3>,2|C<4>}	108.3250	0.000	1	108.3250	0.000	1	108.3416	0.062	12	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:Si[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC){1|H<1>,2|C<4>,3|C<3>}	108.8350	0.000	1	108.8350	0.000	1	109.4165	0.676	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:Si[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	109.9980	0.000	1	109.9980	0.000	1	109.4165	0.676	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[3,5]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H)	H(C[5]N[3,5]C[3]O[5])	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO)	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]N[3,5]C[3]O[5])	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO){1|N<3>,2|C<4>,2|H<1>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	109.7390	0.864	2	109.7390	0.747	2	109.8054	0.257	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	110.2690	0.000	1	110.2690	0.000	1	109.8054	0.257	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){1|S<4>,2|C<3>,2|H<1>}	109.6790	0.000	1	109.6790	0.000	1	109.8054	0.257	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	H(C[5]N[5]O[5]C)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	109.6010	0.000	1	109.6010	0.000	1	109.8054	0.257	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.9417	0.312	8	108.9417	0.097	8	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.0990	0.000	2	110.0990	0.000	2	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.8020	0.016	3	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.8770	0.000	1	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<1>}	110.8560	0.000	1	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.2920	0.000	1	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.1326	3.462	8	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.9930	0.762	2	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.8040	0.000	1	109.8989	5.665	17	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|H<1>}	108.5290	0.000	1	108.5290	0.000	1	109.5908	3.628	28	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	H(C[5]C[4,5]N[5a]O[5])	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	H(C[5]C[4,5]N[5a]O[5])	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	109.2420	0.000	1	109.2420	0.000	1	108.8297	0.143	3	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	H(C[5]C[4,5]N[5a]O[5])	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	H(C[5]C[4,5]N[5a]O[5])	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	108.4990	0.000	1	108.6235	0.031	2	108.8297	0.143	3	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	H(C[5]C[4,5]N[5a]O[5])	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[5]C[4,5]N[5a]O[5])	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	108.7480	0.000	1	108.6235	0.031	2	108.8297	0.143	3	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	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>}	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	108.8810	0.188	2	108.8810	0.035	2	109.4922	0.535	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	109.7750	0.000	1	109.8997	0.429	3	109.4922	0.535	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	109.9620	0.914	2	109.8997	0.429	3	109.4922	0.535	5	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.4115	0.909	2	109.4115	0.826	2	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.0960	0.000	1	110.4067	2.050	6	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.4027	1.316	3	110.4067	2.050	6	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0680	0.361	2	110.4067	2.050	6	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	108.9830	0.000	1	108.9830	0.000	1	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.5450	0.000	1	109.2766	0.063	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	109.2630	0.000	1	109.2766	0.063	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.8780	0.000	1	109.2766	0.063	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.3485	0.105	2	109.2766	0.063	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|I<1>,2|C<3>,3|H<1>}	109.4160	0.000	1	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.9460	0.856	2	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.6100	0.000	1	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.0701	0.489	9	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.1679	0.358	14	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|H<1>}	109.7697	0.797	6	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.0010	0.627	12	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.6890	0.000	1	109.1787	0.337	46	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	109.0430	0.000	1	108.9935	0.005	2	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	108.9440	0.000	1	108.9935	0.005	2	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.9880	0.000	1	108.9880	0.000	1	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3090	0.000	1	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.4080	0.000	1	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.6127	0.595	14	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	111.4550	0.000	1	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.2593	0.165	3	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.3780	0.000	1	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.5510	0.000	1	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.7090	0.000	1	109.8333	2.534	23	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	109.4115	0.179	2	109.4115	0.032	2	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	109.2600	0.000	1	109.2600	0.000	1	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.2279	0.595	9	109.2165	0.316	10	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.1140	0.000	1	109.2165	0.316	10	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.8975	0.233	4	108.9394	0.049	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.1070	0.000	1	108.9394	0.049	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC)	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.0300	0.542	2	109.0300	0.293	2	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2380	0.000	1	109.0687	0.022	3	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.9840	0.016	2	109.0687	0.022	3	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.9370	0.000	1	108.9370	0.000	1	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.3745	0.720	4	109.4132	0.396	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.5680	0.000	1	109.4132	0.396	5	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.7818	1.028	4	109.7652	0.515	8	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.1320	0.000	1	109.7652	0.515	8	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.6210	0.344	3	109.7652	0.515	8	109.4010	0.881	123	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.7100	0.000	1	109.7100	0.000	1	109.7100	0.000	1	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,5|H<1>}	109.1215	0.544	2	109.1215	0.296	2	109.1215	0.296	2	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.8540	0.000	1	107.8540	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0790	0.000	1	108.7823	0.224	6	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.3890	0.731	2	108.7823	0.224	6	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.9457	0.235	3	108.7823	0.224	6	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.5950	0.000	1	108.0127	0.145	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.2215	0.170	2	108.0127	0.145	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8410	0.242	2	109.0383	0.146	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.4330	0.000	1	109.0383	0.146	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	108.8600	0.000	1	108.8600	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	109.5650	0.000	1	109.5650	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	109.0617	0.638	3	109.0617	0.407	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.1010	0.000	1	109.1010	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	109.3790	0.000	1	109.4963	0.010	4	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.5353	0.077	3	109.4963	0.010	4	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.1480	0.000	1	109.1480	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.3085	0.168	2	108.3085	0.028	2	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.5910	0.025	2	109.5910	0.001	2	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	108.8395	3.098	2	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8710	0.000	1	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.5373	0.441	15	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.5601	0.404	35	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	108.9375	0.490	2	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	109.3340	0.061	2	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.3320	2.239	2	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.8350	0.000	1	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.8510	0.700	2	109.4671	0.471	62	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.8424	0.304	5	109.8424	0.093	5	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.1910	0.424	2	109.1910	0.180	2	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){2|C<3>,2|H<1>,2|O<2>}	109.7860	0.000	1	109.7860	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){2|C<3>,2|H<1>,2|O<2>}	109.8665	0.274	2	109.8665	0.075	2	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.5865	0.521	6	109.4394	0.449	24	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0610	0.674	3	109.4394	0.449	24	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.2710	0.000	1	109.4394	0.449	24	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.6425	0.369	12	109.4394	0.449	24	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.5650	0.000	1	109.4394	0.449	24	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	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]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.2970	0.000	1	109.4394	0.449	24	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){2|C<3>,2|H<1>,2|O<2>}	109.9780	0.000	1	109.9780	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	107.9930	0.000	1	107.9930	0.000	1	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.1590	0.000	1	109.6625	0.348	4	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.4970	0.598	3	109.6625	0.348	4	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	109.3228	2.307	13	109.3228	5.324	13	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|F<1>,2|H<1>}	109.1760	0.000	1	109.3915	0.093	2	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	109.6070	0.000	1	109.3915	0.093	2	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.4510	0.000	1	109.3337	0.038	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.2750	0.236	2	109.3337	0.038	3	109.3551	0.856	148	109.1841	1.075	544	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	3:4:2:1:	4:	4:5:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-5:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]O[5]O3)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]O[5]O3){1|C<4>,3|C<3>}	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH){1|C<3>,2|H<1>,4|C<4>}	110.4523	0.147	3	110.4523	0.021	3	110.7845	0.067	10	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5,5]HH){1|H<1>,4|C<4>}	110.9269	0.119	7	110.9269	0.014	7	110.7845	0.067	10	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](N[5,6]C[5,5,6]O[6])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](N[5,6]C[5,5,6]O[6])(C[5]C[5,5]HH){1|H<1>,4|C<4>}	110.6545	0.036	2	110.6545	0.001	2	110.6545	0.001	2	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	110.4970	0.007	2	110.4970	0.000	2	110.4970	0.000	2	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]O[5]H)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	110.6515	0.029	2	110.6515	0.001	2	110.6515	0.001	2	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.9115	0.018	2	109.9115	0.000	2	109.9115	0.000	2	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2	H(C[5]C[5]O[5]H)	O[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	109.8000	0.011	2	109.8000	0.000	2	109.8000	0.000	2	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](N[5]C[5,5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2{3|C<4>}	H(C[5]C[5]O[5]H)	O[5](N[5]C[5,5]C)(C[5]C[5]HH){2|C<4>,2|H<1>}	106.2860	0.214	2	106.2860	0.046	2	108.4488	6.252	4	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](N[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](N[5]C[6a]C[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	110.6115	0.012	2	110.6115	0.000	2	108.4488	6.252	4	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	110.2708	0.134	6	110.2708	0.018	6	110.2708	0.018	6	110.2098	1.264	30	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C){1|H<1>,1|O<2>,2|C<3>}	111.1328	0.115	4	111.0185	0.039	6	110.8373	0.065	11	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C){2|C<4>,2|H<1>}	110.7900	0.011	2	111.0185	0.039	6	110.8373	0.065	11	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]S)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]S){2|C<4>,2|H<1>}	110.5867	0.022	4	110.5867	0.000	4	110.8373	0.065	11	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C){1|C<4>,1|H<1>,2|C<3>}	110.7520	0.000	1	110.7520	0.000	1	110.8373	0.065	11	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]S)	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]S){1|Br<1>,1|H<1>,2|C<4>}	111.2780	0.006	2	111.2780	0.000	2	110.4086	0.673	20	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	108.6055	1.736	2	110.2938	0.737	16	110.4086	0.673	20	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>}	111.0267	0.108	4	110.2938	0.737	16	110.4086	0.673	20	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	110.3130	0.182	4	110.2938	0.737	16	110.4086	0.673	20	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	110.3552	0.078	6	110.2938	0.737	16	110.4086	0.673	20	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){1|C<4>,1|H<1>,2|C<3>}	110.4580	0.021	2	110.4580	0.000	2	110.4086	0.673	20	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-3:	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(S[5]O[5]O)	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(S[5]O[5]O){2|C<4>}	110.3735	0.018	2	110.3735	0.000	2	110.3735	0.000	2	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:F-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	H(C[5]C[5]O[5]F)	O[5](C[5]C[5]FH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	H(C[5]C[5]O[5]F)	O[5](C[5]C[5]FH)(N[5]C[5]O){1|H<1>,2|C<3>}	108.9050	1.919	2	108.9050	3.683	2	108.9050	3.683	2	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]S)	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]S){1|Br<1>,1|C<3>,2|H<1>}	110.6920	0.000	1	110.6920	0.000	1	110.6451	0.045	12	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CO)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5]C[5]CO)(O[5]N[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>}	110.5420	0.043	4	110.5420	0.002	4	110.6451	0.045	12	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]C){1|C<4>,3|H<1>}	110.8790	0.000	1	110.8790	0.000	1	110.6451	0.045	12	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HO)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]S)	C[5](C[5]C[5]HO)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]S){1|C<3>,1|O<2>,2|H<1>}	110.3140	0.021	2	110.3140	0.000	2	110.6451	0.045	12	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HS)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]HS)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	110.8435	0.077	4	110.8435	0.006	4	110.6451	0.045	12	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-3:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]O[5]N)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]O[5]N){2|H<1>}	110.0886	0.055	8	110.0886	0.003	8	110.0886	0.003	8	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-3:	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]O[5]O)	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]O[5]O){2|C<3>}	106.0215	0.658	2	106.0215	0.433	2	106.0215	0.433	2	110.2883	1.139	57	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](B[5]N[3,5]CC)(C[5]C[3,5]HH)	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2{1|C<4>,2|C<2>,2|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](B[5]N[3,5]CC)(C[5]C[3,5]HH){1|H<1>,2|C<4>}	110.6660	0.013	2	110.6660	0.000	2	110.6660	0.000	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[3,5]O[5]H)	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	107.0600	4.411	2	107.0600	19.456	2	107.0600	19.456	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO){1|C<3>,1|C<4>,1|H<1>}	110.5365	0.049	2	110.5365	0.002	2	110.5544	0.031	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)2	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)2{1|N<3>,2|H<1>}	110.3840	0.008	2	110.3840	0.000	2	110.5544	0.031	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.4995	0.100	4	110.4995	0.010	4	110.5544	0.031	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[5]HH)	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>}	110.8525	0.004	2	110.8525	0.000	2	110.5544	0.031	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH){1|H<1>,2|C<3>,3|C<4>}	110.2575	0.011	2	110.2575	0.000	2	110.2575	0.000	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Br<1>,1|O<2>,2|C<4>}	110.5170	0.016	2	110.5170	0.000	2	110.6444	0.029	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)2	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)2{1|C<3>,1|O<2>,2|C<4>}	110.5860	0.027	2	110.5860	0.001	2	110.6444	0.029	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	110.8900	0.008	2	110.8900	0.000	2	110.6444	0.029	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)2	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)2{1|C<3>,1|O<2>,2|C<4>}	110.5250	0.000	1	110.5250	0.000	1	110.6444	0.029	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)2	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)2{4|C<4>}	110.6140	0.083	4	110.7161	0.020	7	110.4747	0.196	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)2	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)2{4|C<4>}	110.8523	0.035	3	110.7161	0.020	7	110.4747	0.196	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH){1|C<3>,1|H<1>,2|C<4>}	110.0405	0.046	2	110.0405	0.002	2	110.4747	0.196	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH)	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	110.3670	1.114	2	110.3670	1.242	2	110.4747	0.196	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5]O[5]H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH){1|C<3>,1|H<1>,2|C<4>}	110.1715	0.008	2	110.1715	0.000	2	110.4747	0.196	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2	H(C[5]C[4,5,5]O[5]H)	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[4,5,5]O[5]H)	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH){1|C<3>,3|C<4>,3|H<1>}	109.7455	0.689	2	109.7455	0.475	2	109.7455	0.475	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2	H(C[5]C[4,5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2{1|N<4>,2|C<4>,6|H<1>}	H(C[5]C[4,5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)2{4|C<4>}	110.7917	0.105	3	110.7917	0.011	3	110.6160	0.510	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	H(C[5]C[4,5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[4,5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	110.7097	0.212	3	110.7097	0.045	3	110.6160	0.510	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2	H(C[5]C[4,5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[4,5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH){1|C<3>,1|H<1>,2|C<4>}	110.2120	1.735	2	110.2120	3.011	2	110.6160	0.510	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2	H(C[5]C[4,5,6]O[5]H)	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[4,5,6]O[5]H)	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH){1|C<3>,3|C<4>,5|H<1>}	110.1636	0.128	8	110.1636	0.016	8	110.1636	0.016	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2	H(C[5]C[4,5,6]O[5]H)	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[4,5,6]O[5]H)	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH){1|H<1>,2|O<2>,4|C<4>}	110.5780	0.034	2	110.5780	0.001	2	110.5780	0.001	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	110.1220	0.004	2	110.3990	0.102	4	110.6299	0.105	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	110.6760	0.020	2	110.3990	0.102	4	110.6299	0.105	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH){1|C<3>,1|N<3>,2|C<4>}	110.8655	0.006	2	110.8655	0.000	2	110.6299	0.105	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[4,5,6]O[5]H)	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH){1|C<3>,1|H<1>,2|C<4>}	110.8560	0.062	2	110.8560	0.004	2	110.6299	0.105	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH){1|H<1>,3|C<4>}	110.4415	0.011	2	110.4415	0.000	2	110.5987	0.039	9	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH){1|C<3>,1|H<1>,2|C<4>}	110.6195	0.009	2	110.6195	0.000	2	110.5987	0.039	9	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH){1|C<3>,2|H<1>,4|C<4>}	110.8975	0.029	2	110.8975	0.001	2	110.5987	0.039	9	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH){2|C<3>,2|C<4>,2|H<1>}	110.4050	0.008	2	110.4050	0.000	2	110.5987	0.039	9	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH)	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[4,5]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.5987	0.039	9	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH){1|O<2>,3|C<4>,3|H<1>}	110.3684	0.059	5	110.3684	0.003	5	109.9365	4.380	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	108.8238	3.886	4	108.8238	15.103	4	109.9365	4.380	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.6040	0.021	2	110.5095	0.012	4	109.9365	4.380	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	110.4150	0.023	2	110.5095	0.012	4	109.9365	4.380	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){1|C<3>,1|O<2>,2|C<4>}	110.5790	0.066	4	110.5814	0.003	5	110.3828	4.720	15	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){1|C<3>,1|O<2>,2|C<4>}	110.5910	0.000	1	110.5814	0.003	5	110.3828	4.720	15	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH)	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH){1|C<4>,2|C<3>}	109.0560	2.799	2	109.0560	7.833	2	110.3828	4.720	15	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH){1|C<4>,4|C<3>}	110.5904	2.782	8	110.5904	7.739	8	110.3828	4.720	15	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(S[5]N[5,6,6]OO)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2{2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,3x6]O[5]H)	O[5](C[5]C[5,3x6]HH)(S[5]N[5,6,6]OO){3|C<4>}	109.3300	0.931	2	109.3300	0.866	2	109.3300	0.866	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2	H(C[5]C[5,5,6,6]O[5]H)	O[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5]C[5,5,6,6]HH)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5,5,6,6]O[5]H)	O[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5]C[5,5,6,6]HH){1|H<1>,1|O<2>,5|C<4>}	111.3670	0.037	2	111.3670	0.001	2	111.3670	0.001	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH){2|H<1>,5|C<4>}	110.0255	0.094	4	110.0255	0.009	4	109.2171	4.069	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	109.3835	2.066	4	108.9248	5.465	14	109.2171	4.069	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH){1|P<4>,3|C<4>,3|H<1>}	108.7413	2.518	10	108.9248	5.465	14	109.2171	4.069	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.4785	0.043	2	110.4785	0.002	2	109.2171	4.069	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	108.7818	2.291	8	109.0508	4.405	10	109.2171	4.069	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|H<1>,6|C<4>}	110.1270	0.020	2	109.0508	4.405	10	109.2171	4.069	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH){3|H<1>,4|C<4>}	110.2561	0.097	8	110.2561	0.009	8	110.3720	0.048	11	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH){1|C<4>,3|C<3>,3|H<1>}	110.7370	0.027	2	110.7370	0.001	2	110.3720	0.048	11	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.5690	0.000	1	110.5690	0.000	1	110.3720	0.048	11	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Br<1>,1|O<2>,2|C<4>}	110.6565	0.035	2	110.6565	0.001	2	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	110.7870	0.017	2	110.7870	0.000	2	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]O[5]CC)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]O[5]CC){2|C<4>}	111.3010	0.061	4	111.3010	0.004	4	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)2{4|C<4>}	110.5966	0.427	8	110.5966	0.182	8	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	110.1995	0.018	2	110.1995	0.000	2	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.4147	3.013	4	108.4147	9.080	4	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.5290	0.000	1	110.5331	0.020	7	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.4415	0.050	2	110.5331	0.020	7	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.5345	0.282	2	110.5331	0.020	7	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{3|C<4>,5|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<4>}	110.6255	0.033	2	110.5331	0.020	7	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.0750	0.000	1	110.0750	0.000	1	110.3576	1.678	30	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	110.4133	0.145	3	110.4133	0.021	3	110.4133	0.021	3	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	110.7970	0.000	1	110.7970	0.000	1	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[4x5]O[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[4x5]O[5]H)(C[5]C[5,5]HH){1|H<1>,4|C<4>}	108.5850	2.193	4	108.5850	4.809	4	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5,5])(H)2{1|Si<4>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]HH){1|Ru<8>,1|H<1>,1|O<2>,4|C<4>}	111.0478	0.084	4	111.0478	0.007	4	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH){2|C<3>,2|C<4>,3|H<1>}	110.0720	0.014	2	110.1782	0.013	5	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.2490	0.084	3	110.1782	0.013	5	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,6a]N[3x5]C)(C[5]C[5,5]HH)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,6a]N[3x5]C)(C[5]C[5,5]HH){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	110.9500	0.006	2	110.9500	0.000	2	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	111.0900	0.027	2	111.0900	0.001	2	110.2388	1.815	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.7010	0.000	1	110.7010	0.000	1	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.2602	2.344	4	109.2602	5.493	4	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){2|C<4>,2|H<1>,3|O<2>}	110.2975	0.025	2	110.2975	0.001	2	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	110.2788	0.032	4	110.2788	0.001	4	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH){3|H<1>,4|C<3>}	110.7720	0.000	1	110.7720	0.000	1	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	109.1360	3.752	4	109.1360	14.080	4	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	110.9190	0.007	2	110.7897	0.013	6	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,4|C<4>}	110.7250	0.075	4	110.7897	0.013	6	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH){1|C<3>,3|C<4>,5|H<1>}	110.9895	0.052	2	110.9895	0.003	2	110.1452	3.075	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5,5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5,5]O[5]3)	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5,5]O[5]3){2|C<3>,2|C<4>}	111.0480	0.017	2	111.0480	0.000	2	111.0480	0.000	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	110.4977	0.039	3	110.4977	0.002	3	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH){1|C<3>,1|H<1>,2|C<4>}	108.7365	1.240	2	108.7365	1.537	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.1050	0.016	2	110.1050	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.3925	0.347	2	110.4488	0.044	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<4>}	110.5050	0.006	2	110.4488	0.044	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.8810	0.004	2	110.8810	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|C<4>,2|H<1>}	110.3725	0.242	4	110.3725	0.058	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<4>,1|O<2>,2|H<1>}	111.0335	1.832	2	111.0335	3.357	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HH){1|C<4>,1|O<2>,2|C<3>}	110.6790	0.054	2	110.6790	0.003	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<3>,2|C<4>}	110.4770	0.017	2	110.4770	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|Fe<8>,2|C<4>}	111.1287	0.038	4	111.1287	0.001	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|Fe<10>,2|C<4>}	109.3293	2.241	4	110.1001	2.833	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|Fe<8>,2|C<4>}	110.8710	0.063	4	110.1001	2.833	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	111.2150	0.027	2	111.2150	0.001	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	110.4210	0.000	1	110.5863	0.054	61	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	110.3535	0.062	4	110.5863	0.054	61	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	110.5258	0.165	46	110.5863	0.054	61	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	111.0175	0.011	4	110.5863	0.054	61	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	110.9450	0.111	6	110.5863	0.054	61	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO){2|C<4>,2|H<1>}	111.0000	0.000	1	111.0000	0.000	1	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.6010	0.000	1	110.6009	0.017	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{2|C<4>,2|H<1>}	110.6762	0.143	4	110.6009	0.017	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{2|C<4>,2|H<1>}	110.4790	0.040	2	110.6009	0.017	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{2|C<4>,2|H<1>}	110.5430	0.000	1	110.6009	0.017	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{2|C<3>,2|O<2>}	110.8825	0.030	2	110.8825	0.001	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|Ru<8>,2|C<4>}	111.1930	0.059	4	111.1930	0.004	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<3>,1|H<1>,2|O<2>}	110.6710	0.017	2	110.6710	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<3>,2|O<2>}	110.5430	0.000	1	110.5430	0.000	1	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	109.3255	4.669	2	109.3255	21.800	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|N<3>,1|O<2>,2|H<1>}	110.8270	0.031	2	110.8270	0.001	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<4>,1|O<2>}	109.8847	0.596	4	109.8847	0.355	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH){1|C<4>,1|H<1>,2|O<2>}	111.5475	0.719	2	111.5475	0.517	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){2|C<4>,2|O<2>}	110.5475	1.327	2	110.5475	1.762	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{2|C<3>,2|O<2>}	110.4735	0.019	2	110.5955	0.020	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.7175	0.025	2	110.5955	0.020	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]2O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]2O)(C[5]C[5,5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	110.5083	0.046	4	110.5083	0.002	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	110.6915	0.531	2	110.6915	0.282	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	110.6500	0.018	2	110.6500	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH){1|C<4>,3|H<1>,3|O<2>}	110.7310	0.011	2	110.5056	1.533	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	110.4305	1.456	6	110.5056	1.533	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	110.5652	0.049	4	110.6415	0.015	6	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|O<2>,2|H<1>}	110.7940	0.021	2	110.6415	0.015	6	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{2|H<1>,2|O<2>}	110.8725	0.013	2	110.1810	1.517	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)2{1|C<4>,1|O<2>,2|H<1>}	109.4895	1.624	2	110.1810	1.517	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	109.6763	0.417	4	109.6763	0.174	4	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	110.3110	0.018	2	110.3110	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	110.9180	0.000	1	110.9180	0.000	1	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){2|C<3>}	111.3260	0.011	2	111.3260	0.000	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){2|C<4>}	110.6820	0.406	2	110.7324	0.983	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	110.1565	0.169	2	110.7324	0.983	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	111.0455	1.369	4	110.7324	0.983	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	111.0640	0.000	1	111.0293	0.006	7	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	111.0235	0.086	6	111.0293	0.006	7	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	109.5490	1.341	8	109.9700	1.965	16	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	110.9165	1.476	2	109.9700	1.965	16	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	109.7903	0.686	4	109.9700	1.965	16	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	111.0670	2.751	2	109.9700	1.965	16	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH){1|Fe<6>,1|C<3>,1|N<3>,3|C<4>}	110.8483	0.294	8	110.8483	0.087	8	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	111.2080	0.004	2	111.0862	0.082	6	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	110.7265	0.103	2	111.0862	0.082	6	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|H<1>,2|C<3>}	111.3240	0.007	2	111.0862	0.082	6	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<3>,1|C<4>,1|H<1>}	111.0287	0.095	3	111.0287	0.009	3	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	110.6890	0.064	2	110.6890	0.004	2	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	110.7190	0.000	1	111.0296	0.474	11	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	111.0319	0.811	8	111.0296	0.474	11	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	111.1760	0.016	2	111.0296	0.474	11	110.5731	0.664	228	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(S[5]C[5,5]OO){2|C<4>,2|H<1>}	110.7360	0.065	2	110.7360	0.004	2	110.7212	0.044	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5,5]O[5]H)	O[5](C[5]C[5,5]HH)(S[5]N[5,5]OO){1|C<3>,1|C<4>,1|H<1>}	110.7163	0.246	6	110.7163	0.060	6	110.7212	0.044	8	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2	H(C[5]C[5,5]O[5]H)	O[5](P[5]N[5,5]PdO)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2{1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	O[5](P[5]N[5,5]PdO)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	110.4311	0.184	7	110.4311	0.034	7	110.4311	0.034	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.3473	0.054	4	110.3473	0.003	4	110.3473	0.003	4	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]HH){1|H<1>,4|C<4>}	111.1585	0.006	2	111.1585	0.000	2	111.1585	0.000	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.7550	0.430	2	109.7550	0.185	2	110.5389	0.229	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	110.2745	0.019	2	110.2745	0.000	2	110.5389	0.229	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6725	0.011	2	110.9230	0.084	4	110.5389	0.229	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|O<1>,2|H<1>,3|C<4>}	111.1735	0.021	2	110.9230	0.084	4	110.5389	0.229	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	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>}	110.3590	0.052	2	110.3590	0.003	2	110.5389	0.229	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH){1|H<1>,1|O<2>,7|C<4>}	110.8457	0.054	3	110.8457	0.003	3	110.5389	0.229	13	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	110.4025	0.026	2	110.4025	0.001	2	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[5a,6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[5a,6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.3800	0.088	6	110.3800	0.008	6	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.8690	0.000	1	110.5070	0.079	4	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	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>}	110.3863	0.178	3	110.5070	0.079	4	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.2825	0.026	2	110.0862	0.103	12	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.1428	0.534	4	110.0862	0.103	12	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	109.9830	0.158	6	110.0862	0.103	12	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.2950	0.008	2	110.3564	0.103	18	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{4|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|H<1>,6|C<4>}	110.3641	0.341	16	110.3564	0.103	18	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	110.5740	0.000	1	110.5740	0.000	1	110.3055	0.097	43	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){1|C<3>,1|O<2>,2|C<4>}	110.7690	0.055	5	110.7690	0.003	5	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)2{2|C<4>,2|H<1>}	110.6260	0.010	2	110.6335	0.000	4	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)2{2|C<4>,2|H<1>}	110.6410	0.004	2	110.6335	0.000	4	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO){1|C<4>,1|H<1>,2|C<3>}	110.7225	0.052	2	110.7225	0.003	2	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	110.1300	0.000	2	110.1300	0.000	2	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH){1|H<1>,3|C<4>}	110.8780	0.030	2	110.8780	0.001	2	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	110.4427	0.060	4	110.4427	0.004	4	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	110.1025	0.016	2	110.4797	0.097	6	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	110.6683	0.140	4	110.4797	0.097	6	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6,6]HH){1|H<1>,2|C<4>,3|C<3>}	110.4960	0.000	1	110.4960	0.000	1	110.5763	0.059	26	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5,5]-4:C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[4,5,5]C[4,5,6]C[4,5]C[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[4,5,5]C[4,5,6]C[4,5]C[5])(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	108.3670	1.335	2	108.3670	1.782	2	108.3670	1.782	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.5700	0.006	4	110.5700	0.000	4	110.5700	0.000	4	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	111.2775	0.021	2	110.9875	0.113	4	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	110.6975	0.030	2	110.9875	0.113	4	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.3340	0.236	4	110.3340	0.056	4	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]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]C)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|H<1>,4|C<4>}	110.7425	0.006	2	110.7425	0.000	2	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	110.7145	0.025	2	110.7145	0.001	2	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH){2|H<1>,2|O<2>,3|C<3>}	109.9375	0.204	2	109.9375	0.042	2	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]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)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|O<2>}	110.7220	0.000	1	110.7220	0.000	1	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	110.1750	0.013	2	110.1396	0.052	5	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	110.4830	0.000	1	110.1396	0.052	5	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	109.9325	0.018	2	110.1396	0.052	5	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	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>}	110.8040	0.031	2	110.8040	0.001	2	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	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>}	110.8375	0.013	2	110.8375	0.000	2	110.5324	0.163	24	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	109.9710	0.049	4	109.9710	0.002	4	110.3592	0.061	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|N<3>,2|H<1>,3|C<4>}	110.3520	0.006	2	110.3520	0.000	2	110.3592	0.061	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	110.3965	0.049	2	110.3965	0.002	2	110.3592	0.061	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH){1|O<2>,2|H<1>,7|C<4>}	110.3930	0.000	1	110.3930	0.000	1	110.3592	0.061	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	110.6440	0.010	2	110.6440	0.000	2	110.3592	0.061	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH){1|C<3>,4|C<4>,5|H<1>}	110.5075	0.109	6	110.5075	0.012	6	110.3592	0.061	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	111.1600	0.011	2	110.0174	2.320	20	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.8904	1.556	18	110.0174	2.320	20	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.4540	0.021	2	110.4540	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	110.5727	0.065	3	110.5727	0.004	3	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	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]2)(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	110.0080	0.028	2	110.0080	0.001	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	110.5818	0.137	6	110.5818	0.019	6	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	110.2335	0.197	4	110.4586	0.040	14	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	110.6810	0.027	4	110.4586	0.040	14	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	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]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.4605	0.010	6	110.4586	0.040	14	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	106.9380	2.729	2	107.5454	16.712	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7100	0.000	1	107.5454	16.712	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,2|C<3>,3|H<1>}	106.5705	6.837	2	107.5454	16.712	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.3335	0.059	2	110.3985	0.007	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	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>,1|O<2>,3|C<3>}	110.4635	0.029	2	110.3985	0.007	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	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)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.3875	0.015	2	110.3875	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<4>}	110.3685	0.067	2	110.3685	0.005	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2770	0.010	2	110.2770	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.3495	1.614	11	110.3495	2.605	11	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]2C)(O[5]C[5,6])(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	110.2770	1.158	2	110.2770	1.342	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.5540	0.016	2	110.5540	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]2H)(O[5]C[5,6])(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<4>,4|H<1>}	110.4105	0.029	2	110.4105	0.001	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.4100	0.045	2	110.3118	0.017	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	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>}	110.2860	0.000	1	110.3118	0.017	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	110.1410	0.000	1	110.3118	0.017	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.7540	0.000	1	109.3492	18.581	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<3>,3|H<1>}	107.6560	8.040	2	109.3492	18.581	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,4|H<1>}	110.3400	0.126	2	109.3492	18.581	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,3|H<1>}	109.4405	0.746	2	109.4405	0.557	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.4460	0.049	2	110.4460	0.002	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.3635	0.042	2	110.3448	0.001	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	110.3260	0.014	2	110.3448	0.001	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	110.0855	0.284	2	110.0855	0.080	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>}	110.2860	0.000	1	110.2860	0.000	1	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	110.8727	0.047	4	110.8727	0.002	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.4685	0.073	2	109.4685	0.005	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	111.0460	0.007	2	110.9433	0.016	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.8405	0.080	2	110.9433	0.016	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]O[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,2|O<2>,4|H<1>}	108.0495	0.132	2	109.8146	1.020	9	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]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]O[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<4>,3|H<1>,3|O<2>}	110.3189	0.148	7	109.8146	1.020	9	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	111.3040	0.025	2	111.2136	0.011	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	111.1533	0.087	3	111.2136	0.011	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	110.8555	0.019	2	110.8555	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	110.9930	0.006	2	110.9930	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	110.9268	0.079	5	110.9268	0.006	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	108.7270	0.407	2	108.7270	0.166	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<3>,3|C<4>}	111.2645	0.032	2	111.2645	0.001	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	109.7071	1.597	8	109.2728	2.682	22	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	108.4000	2.306	4	109.2728	2.682	22	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.2744	1.413	10	109.2728	2.682	22	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|H<1>}	110.9390	0.021	2	110.9390	0.000	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	112.0795	1.085	2	110.9483	0.661	12	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	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|O<2>,2|H<1>}	111.1890	0.016	2	110.9483	0.661	12	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.0055	0.025	2	110.9483	0.661	12	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.3053	0.755	4	110.9483	0.661	12	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	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>}	110.8055	0.008	2	110.9483	0.661	12	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.9480	0.014	2	110.8011	0.012	8	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.7522	0.074	6	110.8011	0.012	8	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.5545	0.756	2	109.5545	0.571	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	110.7675	0.046	4	110.7675	0.002	4	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|H<1>,3|C<3>}	110.8875	0.009	2	110.7834	0.008	8	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,2|C<3>}	110.7487	0.069	6	110.7834	0.008	8	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,3|H<1>}	111.0515	0.037	2	111.0515	0.001	2	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	111.0460	0.049	2	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<2>,2|C<4>}	110.9702	0.043	14	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	111.0797	0.049	13	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.0557	0.077	3	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|H<1>}	110.9862	0.039	4	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	111.1385	0.013	2	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.0524	0.094	5	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|I<1>,2|C<4>,2|H<1>}	111.1147	0.096	6	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	111.0435	0.021	4	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	111.0912	0.037	5	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.0779	2.322	10	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	106.8415	2.845	2	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	111.0835	0.094	2	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	111.2262	0.040	4	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.6523	1.091	23	110.7800	1.271	99	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|H<1>}	111.1138	0.054	5	111.1138	0.003	5	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2{3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	107.1020	0.000	1	107.1020	0.000	1	110.4094	1.828	301	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[4,5]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH)	C[5](C[5,6]C[4,5]C[6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	110.9470	0.023	2	110.9470	0.001	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.4337	0.038	3	110.4337	0.001	3	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]2Ru)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]2Ru)(O[5]C[5])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|Ru<11>,2|C<4>}	110.9473	0.104	3	110.9473	0.011	3	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH){2|C<4>,2|H<1>}	110.7720	0.018	2	110.7720	0.000	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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[6,6]C)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,3|C<4>}	110.5445	0.015	2	110.5445	0.000	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.6200	0.000	1	110.5150	0.022	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.4100	0.000	1	110.5150	0.022	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	111.3595	0.060	4	111.3595	0.004	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	110.7324	0.302	8	110.6476	0.103	10	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	110.3085	0.059	2	110.6476	0.103	10	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]C)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	110.8040	0.006	2	110.8040	0.000	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	110.7988	0.140	6	110.7653	0.018	8	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<4>}	110.6645	0.008	2	110.7653	0.018	8	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>}	109.0045	3.245	2	110.0457	4.956	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	111.0870	0.021	2	110.0457	4.956	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	110.5355	0.006	2	110.7374	0.059	9	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<4>,2|H<1>}	110.7395	0.219	6	110.7374	0.059	9	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<4>,2|H<1>}	111.1290	0.000	1	110.7374	0.059	9	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.8360	0.000	1	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	110.3175	0.025	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.8705	0.029	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	110.8295	0.005	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	110.8875	0.005	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.6190	0.011	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.7395	0.018	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<4>}	110.6710	0.008	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.5475	0.006	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.3619	2.096	8	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	111.0955	0.029	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|H<1>,2|C<3>}	110.7670	0.017	2	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	110.3653	0.033	4	110.6025	1.021	33	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|O<2>,4|C<4>}	110.7355	0.019	2	110.7355	0.000	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<4>}	110.8255	0.028	2	110.7692	0.005	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.7130	0.014	2	110.7692	0.005	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	111.4335	0.392	2	111.4335	0.154	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]Ru)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]Ru)(O[5]C[5])(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|Ru<11>,2|C<4>}	110.8150	0.113	3	110.8150	0.013	3	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|H<1>,2|N<3>}	110.9535	0.029	2	110.9010	0.004	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|H<1>,2|N<3>}	110.8485	0.006	2	110.9010	0.004	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{2|H<1>,2|O<2>}	110.6053	0.015	3	110.8688	0.130	5	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<4>}	111.2640	0.011	2	110.8688	0.130	5	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]C[5]HH){3|C<3>}	111.0660	0.000	1	111.0660	0.000	1	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC){1|H<1>,2|C<3>}	111.2870	0.025	2	111.2870	0.001	2	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	111.0118	0.072	4	111.0118	0.005	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){1|C<3>,1|O<2>}	110.7375	0.032	4	110.7628	0.002	6	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){1|C<4>,1|O<2>}	110.8135	0.009	2	110.7628	0.002	6	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	110.9000	0.044	4	110.9000	0.002	4	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	110.1635	4.393	2	110.8720	4.169	6	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	111.2262	0.114	4	110.8720	4.169	6	110.7476	0.619	127	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC){2|C<4>,2|H<1>}	110.4215	0.059	2	110.4215	0.003	2	110.6530	0.048	6	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH){2|C<4>,2|H<1>}	110.6335	0.018	2	110.6335	0.000	2	110.6530	0.048	6	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	110.9040	0.006	2	110.9040	0.000	2	110.6530	0.048	6	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(P[5]S[5]OS)	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2{1|O<2>,1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(P[5]S[5]OS){2|C<4>}	109.8070	0.042	2	109.8070	0.002	2	109.8070	0.002	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:Si[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]Si[5])(H)2	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(Si[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(O[5]Si[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(Si[5]C[5]CC){3|C<3>}	109.1280	0.041	2	109.1280	0.002	2	109.1280	0.002	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[3x5]-4:C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH)	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH){2|H<1>,4|C<4>}	110.9975	1.470	6	110.9975	2.160	6	110.9975	2.160	6	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5,6]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5,6]N[5,5]N[5,6]O[6])(C[5]C[5]HH)	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2{1|B<4>,1|C<4>,1|N<4>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](B[5,5,6]N[5,5]N[5,6]O[6])(C[5]C[5]HH){1|C<3>,1|H<1>,2|B<4>,4|C<4>}	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	110.7517	0.049	3	110.7517	0.002	3	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	110.7860	0.113	6	110.6945	0.481	20	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	110.6913	0.268	3	110.6945	0.481	20	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	110.6454	0.941	11	110.6945	0.481	20	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.7189	0.059	7	110.6984	0.010	15	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.6805	0.126	8	110.6984	0.010	15	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	110.2553	0.045	4	110.2553	0.002	4	110.6581	0.244	42	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.6965	0.147	6	110.4372	0.151	10	110.4372	0.151	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<4>,1|N<4>}	H(C[5]C[5]O[5]H)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.0482	0.282	4	110.4372	0.151	10	110.4372	0.151	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[5a]2N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]B[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[5a]2N[5])(C[5]C[5]HH){2|C<3>,2|S<2>,4|H<1>}	110.8340	0.013	2	110.8340	0.000	2	110.7756	0.074	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[5a]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]B[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[5a]C[6a]N[5])(C[5]C[5]HH){1|S<2>,3|C<3>,4|H<1>}	110.7215	0.049	2	110.7215	0.002	2	110.7756	0.074	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>,1|C<3>}	H(C[5]C[5]O[5]H)	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|N<3>,2|O<2>}	110.2697	0.238	3	110.2697	0.057	3	110.7756	0.074	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH){1|B<4>,2|H<1>,3|N<3>}	110.9718	0.043	4	110.9718	0.002	4	110.7756	0.074	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH){2|H<1>,2|N<3>}	110.8965	0.084	6	110.8965	0.007	6	110.7756	0.074	17	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]CC)(O[5]C[3,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)	C[5](C[5]C[3,5]CC)(O[5]C[3,5])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH){2|C<3>,3|C<4>}	106.5080	0.762	2	106.5080	0.581	2	107.7657	5.036	3	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.2810	0.000	1	110.2810	0.000	1	107.7657	5.036	3	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]O[5]H)	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>}	108.0305	1.066	2	107.7580	0.769	4	107.7580	0.769	4	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH){1|O<2>,1|S<4>,3|H<1>,4|C<4>}	107.4855	0.936	2	107.7580	0.769	4	107.7580	0.769	4	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	110.9145	0.032	2	110.9145	0.001	2	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	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>}	110.8148	0.052	4	110.8605	0.007	6	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	110.9520	0.035	2	110.8605	0.007	6	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH){1|C<3>,3|C<4>,6|H<1>}	110.4595	0.065	4	110.4595	0.004	4	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	110.6485	0.021	2	110.6485	0.000	2	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	109.7494	1.765	8	110.4569	1.506	20	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	110.8688	0.082	8	110.4569	1.506	20	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	111.0482	0.041	4	110.4569	1.506	20	110.5666	0.901	34	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5,6]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5,6]C[6,6a]C[4,5]C[4,6])(C[5]C[5]HH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[4,5,6]C[6,6a]C[4,5]C[4,6])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.5805	0.021	2	110.5805	0.000	2	110.0921	1.422	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5,6]C[4,6a]C[4,6]C[5,6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[4,5,6]C[4,6a]C[4,6]C[5,6])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	110.2450	0.031	2	110.2450	0.001	2	110.0921	1.422	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5,6]-4:C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5,6]C[4,6]N[5,6]C[4])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[4,5,6]C[4,6]N[5,6]C[4])(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	109.8783	1.549	6	109.8783	2.399	6	110.0921	1.422	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6]O[4])(C[5]C[5]HH)	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6]O[4])(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>}	110.5600	0.687	2	110.5600	0.472	2	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>}	108.5545	1.785	13	108.5545	3.186	13	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6a]N[4])(C[5]C[5]HH)	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[6a]N[4])(C[5]C[5]HH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	110.6775	0.029	2	110.6775	0.001	2	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.2175	0.330	2	110.0647	0.460	6	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	110.3945	0.039	2	110.0647	0.460	6	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){2|C<4>,4|H<1>}	110.5820	0.004	2	110.0647	0.460	6	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.6730	0.013	2	110.6730	0.000	2	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	110.7770	0.021	2	110.7770	0.000	2	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]O)(C[5]C[5]HH)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,5]C[4]O)(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	110.5610	0.006	2	110.5610	0.000	2	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4]2C[5])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	110.3593	0.385	6	110.3593	0.148	6	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,6a]C[4]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[4,5]C[4,6a]C[4]O[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	110.9990	0.501	4	110.9990	0.251	4	109.8525	2.050	39	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2{4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,5|H<1>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5]HH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	110.7385	0.025	2	110.7385	0.001	2	110.7385	0.001	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	109.9540	0.025	2	109.9540	0.001	2	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH){1|O<2>,4|C<4>,5|H<1>}	110.9685	0.026	2	110.9685	0.001	2	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.2825	0.019	2	110.2825	0.000	2	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	110.8270	0.108	3	110.8270	0.012	3	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2{4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	110.9275	0.025	2	110.9275	0.001	2	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	110.4510	0.031	2	110.4510	0.001	2	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH){1|C<3>,3|C<4>,6|H<1>}	110.2295	0.085	4	110.2295	0.007	4	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	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>}	110.4930	0.006	2	110.4930	0.000	2	110.5027	0.120	19	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5]HH)	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	110.9860	0.021	2	110.9860	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	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>}	109.9900	0.023	2	109.9900	0.001	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	110.1095	0.029	2	110.1095	0.001	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>,2|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|N<3>,1|S<4>,2|C<4>,4|C<3>}	110.9230	0.025	2	110.9230	0.001	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.7720	0.000	1	110.7720	0.000	1	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.5605	0.079	4	110.5605	0.006	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	110.8310	0.035	2	110.8310	0.001	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.8960	0.007	2	110.9103	0.020	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.9175	0.183	4	110.9103	0.020	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	110.6595	0.021	2	110.6595	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<2>}	110.4615	0.047	2	110.4615	0.002	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	111.2730	0.016	2	111.2730	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.7745	0.077	2	110.7745	0.006	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HH){2|C<4>,2|O<2>,3|H<1>}	110.5830	0.000	1	110.5830	0.000	1	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	110.5560	0.024	4	110.5560	0.001	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	110.7355	0.016	2	110.7355	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	108.8175	2.449	2	108.8175	5.996	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	110.9145	0.037	2	110.8928	0.010	8	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.8855	0.119	6	110.8928	0.010	8	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.5510	0.028	2	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	110.6355	0.064	2	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.8690	0.047	2	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.0690	0.887	2	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|N<2>,2|C<3>,3|H<1>}	110.9140	0.013	2	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.9792	0.086	8	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	110.7825	0.011	2	110.8738	0.071	20	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.7613	0.529	13	110.8266	0.151	26	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.8919	0.161	13	110.8266	0.151	26	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.9600	0.000	1	110.8783	0.005	3	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.8375	0.016	2	110.8783	0.005	3	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.8410	0.044	2	110.8410	0.002	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	109.4270	1.368	2	109.4270	1.870	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	110.7840	0.028	4	110.7467	0.004	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<4>,3|H<1>,3|O<2>}	110.6720	0.014	2	110.7467	0.004	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	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>}	110.5785	0.029	2	110.4840	0.012	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.3895	0.016	2	110.4840	0.012	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	110.4410	0.011	2	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.8890	0.004	2	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,3|H<1>,3|O<2>}	110.5245	0.005	2	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	109.9585	2.279	2	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,4|O<2>}	110.3595	0.013	2	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,3|H<1>,3|O<2>}	110.7093	0.203	30	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<2>}	110.8210	0.030	2	110.6492	0.193	42	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	110.9010	0.725	2	110.9010	0.526	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>}	110.8390	0.144	4	110.8390	0.021	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|P<3>,3|H<1>}	110.4435	0.153	8	110.4831	0.023	12	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|P<4>,3|H<1>}	110.5623	0.129	4	110.4831	0.023	12	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,4|N<3>}	111.0185	0.113	15	111.0185	0.013	15	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	110.6917	0.097	15	110.6917	0.009	15	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	110.6025	0.101	8	110.6025	0.010	8	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,4|O<2>}	110.4540	0.030	2	110.4540	0.001	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.5770	0.004	2	110.5770	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.2510	0.054	2	110.2510	0.003	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){4|C<3>,4|H<1>}	110.0310	0.038	2	110.0310	0.001	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|Cl<1>,1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){2|Cl<1>,2|H<1>,3|C<3>}	110.3670	0.000	1	110.3670	0.000	1	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	110.2595	0.013	2	110.3018	0.001	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.3230	0.023	4	110.3018	0.001	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	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>}	110.7285	0.015	2	110.7285	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]RuC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[5]RuC)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|Ru<7>,1|H<1>,1|O<2>,4|C<4>}	110.6495	0.064	2	110.6495	0.004	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	110.8000	0.007	2	110.8000	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	110.5760	0.014	2	110.5760	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	109.5614	1.408	8	109.5614	1.982	8	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	111.1132	0.123	6	111.1132	0.015	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	110.9820	0.016	2	110.9820	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	110.7250	0.017	4	110.7250	0.000	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	110.9040	0.006	2	110.9040	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	110.2120	0.037	3	110.2120	0.001	3	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	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>}	109.8385	0.032	2	110.2558	0.233	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.6730	0.035	2	110.2558	0.233	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.1900	0.035	2	110.5392	0.106	5	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	110.7720	0.092	3	110.5392	0.106	5	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	110.4533	0.080	7	110.4533	0.005	11	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.4532	0.066	4	110.4533	0.005	11	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[3x3,3x5,12x6]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<6>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[3x3,3x5,12x6]C[5,6a]N[5,5])(C[5]C[5]HH){1|Co<10>,1|C<6>,2|H<1>,3|B<6>,3|C<3>}	110.3970	0.010	2	110.3970	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	110.4990	0.000	1	110.4990	0.000	1	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.4316	0.132	5	110.4316	0.017	5	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	110.1070	0.049	2	110.1070	0.002	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|N<2>,2|H<1>,3|C<3>}	111.0940	0.007	2	111.0940	0.000	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	109.3135	0.438	2	109.3135	0.192	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH){1|N<3>,2|H<1>,4|C<4>}	109.0725	0.442	2	109.0725	0.195	2	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	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>}	108.7858	0.765	6	108.7858	0.585	6	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH){3|H<1>,5|C<4>}	110.6826	0.270	7	110.6826	0.073	7	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.8315	0.080	4	110.8315	0.006	4	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	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>}	108.9677	2.809	8	110.4861	2.280	37	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.1008	0.157	4	110.4861	2.280	37	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	111.1470	0.105	3	110.4861	2.280	37	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	111.1690	0.146	4	110.4861	2.280	37	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|Rh<6>,3|C<4>,4|H<1>}	110.7670	0.410	13	110.4861	2.280	37	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.7504	0.188	5	110.4861	2.280	37	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,5a]2O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	110.7083	0.359	12	110.7083	0.129	12	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.8357	0.234	19	110.9325	0.137	78	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.9637	0.400	59	110.9325	0.137	78	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	111.2030	0.076	8	111.2030	0.006	8	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.8503	0.175	8	110.0670	2.801	32	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	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>}	109.8059	1.866	24	110.0670	2.801	32	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	110.7968	0.085	4	110.4434	1.052	22	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.3230	1.024	3	110.4434	1.052	22	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.3733	1.176	15	110.4434	1.052	22	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,4|H<1>}	111.1524	0.113	16	111.1524	0.013	16	110.6217	0.652	513	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.0132	0.072	4	111.0132	0.005	4	110.5652	0.149	12	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH){4|C<4>,6|H<1>}	110.0140	0.004	2	110.0140	0.000	2	110.5652	0.149	12	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	110.5830	0.008	2	110.4502	0.027	6	110.5652	0.149	12	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	110.3837	0.165	4	110.4502	0.027	6	110.5652	0.149	12	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.2680	0.010	2	110.2680	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH){2|H<1>,5|C<4>}	110.1838	0.080	4	110.1838	0.006	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.1088	0.059	4	110.1088	0.003	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	110.1669	0.160	10	110.1669	0.026	10	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	110.1595	0.018	2	110.1595	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	110.5755	0.032	2	110.5755	0.001	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>}	110.7540	0.000	1	110.7540	0.000	1	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	110.4410	0.008	2	110.2950	0.028	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	110.1490	0.006	2	110.2950	0.028	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|Cr<9>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH){2|H<1>,3|C<4>}	105.0795	3.041	4	105.0795	9.250	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.6420	0.000	1	110.6420	0.000	1	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	110.3533	0.138	4	110.3533	0.019	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	110.2397	0.023	3	110.2397	0.001	3	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	110.0380	0.011	2	110.1193	0.020	3	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.2820	0.000	1	110.1193	0.020	3	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	110.8913	0.214	3	110.8913	0.046	3	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.4620	0.007	2	110.4620	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	110.3560	0.040	4	110.3560	0.002	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]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[6a]2)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	110.3900	0.036	4	110.3900	0.001	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<4>,3|C<3>}	110.2855	0.021	2	110.0302	0.040	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,4|C<3>}	109.9025	0.031	4	110.0302	0.040	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	110.5330	0.055	2	110.5330	0.003	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	110.3145	0.064	2	110.3145	0.004	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	110.5042	0.036	4	110.5042	0.001	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|H<1>}	110.0765	0.025	2	110.2052	1.254	10	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|H<1>}	110.2225	3.348	2	110.2052	1.254	10	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	110.2802	0.060	4	110.2052	1.254	10	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	110.1665	0.033	2	110.2052	1.254	10	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,4|C<3>,4|H<1>}	110.2550	0.021	2	110.2550	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	110.1347	0.040	4	110.1347	0.002	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.1075	3.164	4	108.1075	10.013	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	110.3674	0.119	10	110.3674	0.014	10	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.8510	0.000	1	109.8510	0.000	1	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.0673	0.373	6	110.0673	0.139	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.2072	0.348	41	110.2168	0.112	45	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	110.4080	0.021	2	110.2168	0.112	45	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	110.2220	0.008	2	110.2168	0.112	45	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.2818	0.046	4	110.2818	0.002	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){3|O<2>,4|H<1>}	110.5330	0.035	2	110.3427	0.049	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|O<2>}	110.1525	0.008	2	110.3427	0.049	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.3790	0.095	4	110.3790	0.009	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	109.6985	0.383	2	108.0583	3.993	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	106.4180	1.035	2	108.0583	3.993	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,3|C<4>,5|H<1>}	110.7540	0.008	2	110.7540	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	110.8585	0.050	4	110.8585	0.003	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|O<2>,3|C<4>,3|H<1>}	110.6680	0.017	2	110.6680	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	110.3414	0.144	7	110.3414	0.021	7	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.8135	3.262	2	108.6137	7.869	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	110.4140	0.065	2	108.6137	7.869	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.5069	0.251	16	110.5069	0.063	16	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	110.5055	0.388	4	110.4198	1.814	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	108.1205	0.028	2	110.4198	1.814	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|Fe<7>,2|C<4>,5|H<1>}	110.5480	0.023	2	110.4198	1.814	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.3930	0.016	2	110.4198	1.814	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){3|C<4>,5|H<1>}	112.4465	0.807	2	110.4198	1.814	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.6955	0.019	2	110.8875	0.067	8	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.8100	0.030	2	110.8875	0.067	8	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	111.2990	0.033	2	110.8875	0.067	8	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<3>,4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.7455	0.062	2	110.8875	0.067	8	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	111.1590	0.004	2	111.1590	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	110.4338	0.028	4	110.4338	0.001	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH){2|C<4>,5|C<3>}	110.5740	0.025	2	110.5740	0.001	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.6290	0.047	4	110.5842	0.007	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	110.4945	0.057	2	110.5842	0.007	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	110.7165	0.470	4	110.7165	0.221	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|S<4>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>}	110.5850	0.016	2	110.5850	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.6140	0.028	2	110.6140	0.001	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.6584	0.194	12	110.6619	0.026	18	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.6688	0.066	6	110.6619	0.026	18	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	110.8385	0.076	4	110.8385	0.006	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	110.3960	0.388	4	110.3960	0.150	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	110.5010	0.007	2	110.5010	0.000	2	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	106.8925	0.056	2	110.7720	1.245	28	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	111.3525	0.009	2	110.7720	1.245	28	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	111.0193	0.229	19	110.7720	1.245	28	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	111.1522	0.068	5	110.7720	1.245	28	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	110.4517	0.128	3	110.4517	0.016	3	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.3578	0.030	12	110.3578	0.001	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	111.0521	0.290	14	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	110.7605	0.137	4	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	108.9756	2.924	8	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	111.0589	0.216	11	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	110.1382	0.130	4	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.8416	0.391	8	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	107.3800	1.453	3	110.3971	2.422	52	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	111.0145	0.454	27	111.0433	0.181	34	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	111.1543	0.288	7	111.0433	0.181	34	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.5263	0.370	7	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	111.2235	0.125	11	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.3227	0.020	3	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	110.1552	0.938	4	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	110.8481	0.209	7	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.1211	1.023	14	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.3980	1.066	16	110.5763	0.745	62	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.6627	0.128	6	110.6627	0.016	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	111.1732	0.161	4	111.1732	0.026	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	110.7284	0.341	16	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.7927	0.390	4	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	110.7784	0.162	7	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.6542	1.013	57	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	111.1843	1.087	16	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	110.7290	0.000	1	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|N<2>,2|C<4>,5|H<1>}	110.7013	0.049	3	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	110.9291	0.215	7	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	110.4773	0.078	3	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.7067	0.926	196	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.7584	0.237	16	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.6280	0.976	13	110.7260	0.774	339	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<4>}	110.7735	0.267	4	110.7735	0.072	4	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	110.6580	0.227	21	110.6580	0.052	21	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.1998	0.174	6	110.1998	0.030	6	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.0590	0.172	6	109.9664	0.045	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5925	0.013	2	109.9664	0.045	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.0145	0.062	4	109.9664	0.045	12	110.5285	0.980	857	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[5]HH)	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>}	110.5370	0.004	2	110.5370	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.8280	0.071	2	110.8280	0.005	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8619	3.476	8	109.8619	12.080	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.4237	2.040	4	110.7165	0.855	17	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.7894	0.251	10	110.7165	0.855	17	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.8637	0.288	3	110.7165	0.855	17	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	110.2180	0.000	1	110.2180	0.000	1	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]CC)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.3930	0.028	2	110.3930	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	110.3960	0.018	2	110.3960	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	110.6770	0.013	2	110.6770	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	110.6780	0.000	1	110.5787	0.009	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.5290	0.059	2	110.5787	0.009	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	110.0275	0.022	2	110.0275	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,3|H<1>}	110.5040	0.017	2	110.5040	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|H<1>,2|C<4>}	110.5165	0.016	2	110.5165	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.4794	0.136	5	110.4794	0.018	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|H<1>,2|C<4>}	110.0320	0.008	2	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>}	110.4280	0.359	4	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|H<1>}	110.6723	0.169	8	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	110.5526	0.179	13	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,2|H<1>}	110.4955	0.170	12	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,2|H<1>}	110.5700	0.247	11	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{2|C<4>,2|H<1>}	108.5060	1.537	4	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<4>,3|H<1>}	110.4930	0.000	1	110.3831	0.462	55	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.3702	0.089	4	110.3702	0.008	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	110.5060	0.033	2	110.5060	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.3107	0.024	4	110.3107	0.001	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.9820	0.010	2	110.3963	0.293	15	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.0304	0.222	7	110.3963	0.293	15	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,4|C<3>}	110.9175	0.011	2	110.3963	0.293	15	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	110.4830	0.732	4	110.3963	0.293	15	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]CN)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>}	109.7655	2.805	6	109.7655	7.870	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	109.2697	0.664	6	109.2697	0.441	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>}	111.0875	0.028	2	111.0875	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|O<2>}	110.6515	0.033	2	110.6515	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6,6]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5,6,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	109.7075	0.012	2	109.7075	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	110.5632	0.238	19	110.5632	0.056	19	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,3|H<1>}	110.3010	0.028	2	110.3010	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|N<3>,2|H<1>}	109.9785	0.018	2	110.2235	0.106	45	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	110.8970	0.028	2	110.2235	0.106	45	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	110.0944	0.252	8	110.2235	0.106	45	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	110.3180	0.300	6	110.2235	0.106	45	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	110.2075	0.319	26	110.2235	0.106	45	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	110.2500	0.000	1	110.2235	0.106	45	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){4|H<1>}	110.3410	0.000	1	110.3410	0.000	1	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|O<2>,5|H<1>}	110.6015	0.016	2	110.6015	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]3)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]3){2|O<2>,3|C<4>,5|H<1>}	110.4841	0.402	19	110.4109	0.125	37	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]3)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]3){2|O<2>,4|C<4>,4|H<1>}	110.3337	0.284	18	110.4109	0.125	37	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HN){4|H<1>}	110.2078	0.223	8	110.2078	0.050	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|H<1>}	110.9650	0.016	2	110.6362	0.126	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,3|H<1>}	111.1010	0.038	2	110.6362	0.126	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|N<3>,3|H<1>}	110.4383	0.041	4	110.6362	0.126	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){4|H<1>}	110.2385	0.059	2	110.6362	0.126	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HP)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]C[5]HP){4|H<1>}	110.3685	0.005	2	110.3685	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<4>,3|H<1>}	110.7820	0.013	2	110.3147	0.987	7590	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|N<3>,3|H<1>}	110.7556	0.235	8	110.3147	0.987	7590	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|O<2>,3|H<1>}	109.9790	0.011	2	110.3147	0.987	7590	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{3|H<1>}	110.9401	0.631	10	110.3147	0.987	7590	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{4|H<1>}	110.3134	0.994	7568	110.3147	0.987	7590	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	110.5515	0.063	2	110.6190	0.009	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|H<1>}	110.6865	0.067	2	110.6190	0.009	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]Ru2)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<8>,1|Ru<9>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]Ru2)(C[5]C[5]HH){3|H<1>}	108.4502	2.168	8	108.4502	4.702	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]RuC)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>,1|C<5>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]RuC)(C[5]C[5]HH){1|C<5>,2|H<1>}	109.9855	0.062	2	109.9855	0.004	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<6>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH){1|C<6>,4|B<6>,4|H<1>}	110.1140	0.110	4	110.1140	0.012	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|F<1>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|F<1>,2|C<3>,3|H<1>}	110.3240	0.016	2	110.2375	0.009	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|I<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|I<1>,2|C<3>,3|H<1>}	110.2650	0.014	2	110.2375	0.009	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.1235	0.019	2	110.2375	0.009	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.4522	0.332	6	110.4027	0.561	39	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|S<3>,2|C<3>,3|H<1>}	108.0850	1.693	2	110.4027	0.561	39	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.5860	0.031	3	110.4027	0.561	39	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	110.5380	0.492	28	110.4027	0.561	39	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){1|P<4>,2|C<3>,3|H<1>}	111.0470	0.000	1	110.5412	0.089	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|Br<1>,1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){2|Br<1>,2|C<3>,2|H<1>}	110.4147	0.110	4	110.5412	0.089	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.4150	0.000	1	110.4150	0.000	1	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.5784	0.069	8	110.5784	0.005	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CC)(C[5]C[5]HH){2|H<1>,2|O<2>}	109.7575	0.634	2	109.7575	0.402	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>}	110.1895	0.081	2	110.5302	0.710	12	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.7050	1.207	6	110.5302	0.710	12	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.4383	0.147	4	110.5302	0.710	12	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.4765	0.022	2	110.4765	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|H<1>,2|O<2>}	110.9410	0.006	2	110.9022	0.002	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|O<2>,3|H<1>}	110.8635	0.008	2	110.9022	0.002	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	110.4672	0.181	4	109.9951	1.094	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	108.3875	0.788	2	109.9951	1.094	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.6585	0.009	2	109.9951	1.094	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	110.8005	0.012	2	110.6395	0.035	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.4785	0.033	2	110.6395	0.035	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HW)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HW)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<4>,1|W<9>,2|H<1>}	110.5720	0.010	2	110.5720	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.1335	0.057	2	110.9263	0.058	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.7190	0.020	2	110.9263	0.058	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|C<4>}	110.1069	1.256	8	110.1069	1.579	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.0673	0.211	4	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.0095	0.013	2	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.6550	3.620	2	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.6537	0.698	12	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.8125	0.008	2	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.9563	1.356	136	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.1427	0.233	4	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|Mn<4>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|Mn<4>,1|C<4>,1|H<1>}	111.0340	0.662	4	110.9267	1.654	166	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|Ru<11>,2|C<4>}	110.4570	0.108	3	110.4570	0.012	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2O)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2O)(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	110.9657	0.033	4	111.0668	0.025	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2O)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]2O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	111.2690	0.016	2	111.0668	0.025	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.9243	0.117	4	110.9243	0.014	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.8360	0.000	1	110.8257	0.571	28	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|H<1>}	110.8098	0.099	8	110.8257	0.571	28	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.1630	0.044	3	110.8257	0.571	28	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.3658	1.323	8	110.8257	0.571	28	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.1460	0.145	4	110.8257	0.571	28	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.2015	0.060	4	110.8257	0.571	28	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	110.7670	0.006	2	110.7670	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<3>,1|H<1>,2|O<2>}	110.2310	0.000	1	110.2514	0.111	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|O<2>,2|C<3>}	110.2565	0.385	4	110.2514	0.111	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	108.1575	0.333	2	108.1575	0.111	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	110.7635	0.016	2	110.7635	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,3|C<3>}	110.8625	0.006	2	110.8625	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	110.8145	0.202	6	110.8919	0.050	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	111.1240	0.025	2	110.8919	0.050	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]SnH)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]SnH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|S<4>}	109.4655	0.016	2	109.4655	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|C<4>}	110.0867	2.073	4	110.0867	4.298	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	110.2750	0.025	2	110.6271	0.061	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>}	110.5558	0.024	4	110.6271	0.061	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	110.7825	0.043	2	110.6271	0.061	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|Si<4>,1|C<3>,1|C<4>}	110.9665	0.011	2	110.6271	0.061	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	110.4160	0.486	24	110.4160	0.237	24	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	110.3150	0.000	1	110.7190	0.122	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	110.9210	0.006	2	110.7190	0.122	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>}	111.0785	0.043	2	111.0785	0.002	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]CeC)(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ce<16>,1|C<5>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]CeC)(C[5]C[5]HH){2|C<4>}	110.8569	0.079	8	110.8569	0.006	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]HfC)(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Hf<10>,1|C<5>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]HfC)(C[5]C[5]HH){2|C<4>}	110.6928	0.096	4	110.6928	0.009	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]RuN)(C[5]C[5]HH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]RuN)(C[5]C[5]HH){2|C<4>}	110.8205	0.073	2	110.8205	0.005	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	110.6007	0.047	3	110.6007	0.002	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.0108	0.137	35	110.9690	0.025	52	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|H<1>,2|C<3>}	110.8806	0.145	8	110.9690	0.025	52	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|H<1>,1|S<4>}	110.9947	0.144	6	110.9690	0.025	52	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	110.6653	0.040	3	110.9690	0.025	52	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	110.8384	0.297	8	110.8509	0.055	18	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	110.6070	0.004	2	110.8509	0.055	18	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	110.9244	0.149	8	110.8509	0.055	18	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|H<1>,2|C<4>}	110.6430	0.016	2	110.6492	0.000	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,2|H<1>}	110.6555	0.005	2	110.6492	0.000	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	110.4750	0.160	4	110.4750	0.025	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]Dy)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Dy<11>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]Dy)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.8850	0.000	1	110.8850	0.000	1	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.7040	0.008	2	110.7040	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.9645	0.021	2	110.9645	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.4968	0.089	6	110.1525	1.305	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	110.6905	0.015	2	110.1525	1.305	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	108.5815	2.340	2	110.1525	1.305	10	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]RuN)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]N[5]RuN)(C[5]C[5]HH){1|C<4>,1|H<1>}	110.6765	0.033	2	110.6765	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	110.7030	0.249	4	110.7030	0.062	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.8580	0.000	1	110.5643	0.024	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	110.6305	0.025	2	110.5643	0.024	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.4578	0.042	4	110.5643	0.024	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	110.7487	0.070	7	110.7487	0.005	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.8840	0.011	2	110.8840	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	110.7890	0.010	2	110.5816	0.037	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	110.4433	0.042	3	110.5816	0.037	5	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>}	110.3815	0.026	2	110.3815	0.001	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	110.6950	0.006	2	110.7610	0.006	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,1|O<2>,2|H<1>}	110.8270	0.044	2	110.7610	0.006	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|N<3>,3|H<1>}	110.3626	0.123	7	110.3626	0.015	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>}	110.2010	0.010	2	110.2010	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	110.7247	0.035	3	110.7247	0.001	3	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|C<4>}	111.2578	0.069	4	111.2578	0.005	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.6531	2.743	8	110.6829	1.494	98	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.7745	0.966	90	110.6829	1.494	98	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CN)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CN){1|C<4>,1|H<1>}	111.0270	0.011	2	111.0270	0.000	2	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	110.8408	0.124	6	110.8408	0.015	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	111.2169	0.171	19	111.2169	0.029	19	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	111.3067	0.008	4	111.3067	0.000	4	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	111.0399	0.105	8	111.0399	0.011	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.8940	0.137	7	110.8940	0.019	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	110.2830	0.769	4	110.5355	1.865	86	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	110.5479	1.390	82	110.5355	1.865	86	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.0845	1.697	92	110.1539	2.780	98	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|Mg<6>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){1|Mg<6>,2|H<1>}	111.2168	0.239	6	110.1539	2.780	98	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	110.7036	0.101	7	110.9075	0.073	13	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|O<2>}	111.2248	0.091	4	110.9075	0.073	13	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.9870	0.286	2	110.9075	0.073	13	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.8162	0.212	6	110.8162	0.045	6	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]O[5]C)(C[5]C[5]HH){1|C<3>,1|S<2>,2|H<1>}	110.8798	0.204	8	110.8798	0.041	8	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.9061	0.139	7	110.9061	0.019	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){1|Cr<9>,2|C<4>,2|H<1>}	111.1600	0.221	3	110.5626	0.352	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){2|H<1>,3|C<4>}	110.1145	0.215	4	110.5626	0.352	7	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.4606	1.465	16	110.5782	1.870	19	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|H<1>,3|C<4>}	111.2053	0.149	3	110.5782	1.870	19	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	110.7065	0.252	12	110.7275	0.050	16	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	110.7905	0.084	4	110.7275	0.050	16	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.8480	0.867	23	110.8480	0.751	23	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.8864	0.236	71	110.8864	0.056	71	110.3562	1.006	8917	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:N[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(N[5]C[5]CH){2|C<4>,2|H<1>}	110.4785	0.036	2	110.4785	0.001	2	110.4785	0.001	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]C[5]CW)	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|C<4>,1|W<6>,2|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]C[5]CW){4|H<1>}	109.8505	0.066	2	109.8505	0.004	2	109.8413	3.207	14	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]N[5]CH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]N[5]NO)	C[5](C[5]N[5]CH)(O[5]P[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]N[5]NO){1|C<4>,2|H<1>}	110.3665	0.005	2	110.3665	0.000	2	109.8413	3.207	14	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]N[5]BO)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|B<4>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]N[5]BO){1|C<4>,2|H<1>}	110.6255	0.049	2	110.6255	0.002	2	109.8413	3.207	14	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]O[5]NS)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]O[5]NS){2|H<1>}	110.7270	0.171	6	110.7270	0.029	6	109.8413	3.207	14	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]S[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]S[5]NS)	C[5](C[5]S[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(P[5]S[5]NS){2|H<1>}	105.8655	1.855	2	105.8655	3.440	2	109.8413	3.207	14	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[5]HH)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]C[5]OO)	C[5](C[5]C[5]HH)(O[5]S[5])(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]C[5]OO){4|H<1>}	110.1372	0.200	8	110.1372	0.040	8	110.1549	1.095	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2{1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,2|C<3>}	110.9485	0.036	2	110.9485	0.001	2	110.1549	1.095	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|H<1>}	110.6480	0.014	2	110.6480	0.000	2	110.1549	1.095	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]N[5]CC)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]N[5]CC)(O[5]S[5])(H)2{1|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|H<1>}	110.8517	0.093	4	110.8517	0.009	4	110.1549	1.095	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]N[5]CH)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]N[5]CH)(O[5]S[5])(H)2{1|C<4>,2|O<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|H<1>}	107.5455	0.999	2	107.5455	0.998	2	110.1549	1.095	18	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	Ge[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2	H(C[5]C[5]O[5]H)	O[5](Ge[5,5]N[5,5]O[5]Pd)(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2{1|Pd<4>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	O[5](Ge[5,5]N[5,5]O[5]Pd)(C[5]C[5]HH){2|H<1>,3|C<4>}	109.7902	0.074	5	109.7902	0.006	5	109.7902	0.006	5	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	110.0695	0.273	8	110.0695	0.075	8	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5,6]N[6]S)(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2{1|C<3>,1|N<3>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5,6]N[6]S)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.4025	0.006	2	110.4025	0.000	2	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<4>,2|H<1>,2|P<4>}	110.1084	0.131	5	110.1084	0.017	5	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<4>,2|H<1>,2|P<4>}	110.3874	0.250	17	110.2844	0.118	21	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){2|P<4>,3|H<1>}	110.1655	0.006	2	110.2844	0.118	21	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){2|H<1>,2|P<4>}	109.5285	0.006	2	110.2844	0.118	21	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH){2|H<1>,2|P<4>}	110.8185	0.075	15	110.8185	0.006	15	110.3952	0.145	51	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]C[5]Mo)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|Mo<6>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]C[5]Mo)(C[5]C[5]HH){2|H<1>,3|C<3>}	109.6980	0.237	4	109.6980	0.056	4	110.0961	0.277	23	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]N[5]S)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|S<1>,2|C<3>}	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]N[5]S)(C[5]C[5]HH){2|H<1>,3|C<3>}	109.6664	0.342	8	109.6664	0.117	8	110.0961	0.277	23	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]O[5]S)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	O[5](P[5]C[6a]O[5]S)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.8000	0.043	4	110.8000	0.002	4	110.0961	0.277	23	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5]O[5]RhN)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|Rh<4>,1|N<3>}	H(C[5]C[5]O[5]H)	O[5](P[5]O[5]RhN)(C[5]C[5]HH){2|H<1>}	110.4124	0.229	7	110.4124	0.052	7	110.0961	0.277	23	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	Se[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2	H(C[5]C[5]O[5]H)	O[5](Se[5]O[5]OO)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2{2|O<1>}	H(C[5]C[5]O[5]H)	O[5](Se[5]O[5]OO)(C[5]C[5]HH){2|H<1>}	110.5228	0.014	4	110.5228	0.000	4	110.5228	0.000	4	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	Si[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2	H(C[5]C[5]O[5]H)	O[5](Si[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	O[5](Si[5]C[5]CC)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	109.0709	2.996	10	109.0709	8.974	10	109.0709	8.974	10	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](N[5]O[5]CC)(O[5]B[5])(H)2	H(C[5]N[5]O[5]H)	O[5](B[5]C[6a]2O[5])(C[5]N[5]HH)	C[5](N[5]O[5]CC)(O[5]B[5])(H)2{2|C<3>}	H(C[5]N[5]O[5]H)	O[5](B[5]C[6a]2O[5])(C[5]N[5]HH){2|C<4>,4|C<3>}	110.6600	0.014	2	110.6600	0.000	2	110.6600	0.000	2	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]CuC)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](N[5]C[5]CuC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	110.6023	0.049	3	110.6023	0.002	3	110.6243	0.006	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]CuH)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[5]CuH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,2|H<1>}	110.7260	0.010	2	110.7260	0.000	2	110.6243	0.006	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	4:4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]RuH)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](N[5]C[5]RuH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Ru<6>,1|C<3>,2|H<1>}	110.5555	0.037	2	110.5555	0.001	2	110.6243	0.006	7	110.3853	1.024	11662	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	5:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	Ge[3x5]-5:C[5]-4:	C[5](C[5]N[3x5]CC)(O[5]Ge[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	C[5](C[5]N[3x5]CC)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){6|C<4>}	109.3480	0.044	2	109.3480	0.002	2	109.5127	0.038	4	110.2501	0.249	14	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	5:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	Ge[3x5]-5:C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2	H(C[5]C[5]O[5]H)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){2|H<1>,4|C<4>}	109.6775	0.054	2	109.6775	0.003	2	109.5127	0.038	4	110.2501	0.249	14	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:1:1:	4:	5:4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	P[5]-5:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	O[5](P[5]O[5]O3)(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	H(C[5]C[5]O[5]H)	O[5](P[5]O[5]O3)(C[5]C[5]HH){1|C<4>,1|H<1>}	110.5451	0.097	10	110.5451	0.009	10	110.5451	0.009	10	110.2501	0.249	14	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H)	H(C[5]C[5,5]O[5]C)	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H){2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH){2|H<1>,5|C<4>}	112.8353	3.782	4	112.1566	13.029	5	112.1566	13.029	5	111.1737	6.929	10	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H)	H(C[5]C[5,5]O[5]C)	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H){2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH){3|H<1>,4|C<4>}	109.4420	0.000	1	112.1566	13.029	5	112.1566	13.029	5	111.1737	6.929	10	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CN)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CN)(H){1|C<4>,1|F<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CH){1|F<1>,2|C<4>,2|H<1>}	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	111.1737	6.929	10	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]HO)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]O)	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	111.1737	6.929	10	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](N[5]C[6a]C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]O)	O[5](N[5]C[6a]C[5])(C[5]C[5]HO){3|C<3>,3|H<1>}	110.1533	0.351	3	110.1533	0.123	3	110.1533	0.123	3	111.1737	6.929	10	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]2)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.1100	0.000	1	110.1100	0.000	1	109.4815	19.836	6	109.4815	19.836	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]C){2|C<4>,2|H<1>}	109.5490	0.000	1	110.3263	0.703	3	109.4815	19.836	6	109.4815	19.836	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]C){1|C<3>,3|H<1>}	110.7150	0.707	2	110.3263	0.703	3	109.4815	19.836	6	109.4815	19.836	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(N[5]C[5]C){2|C<4>,2|H<1>}	107.9000	9.499	2	107.9000	90.236	2	109.4815	19.836	6	109.4815	19.836	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](CC[6a]2C)(O[5]C[5])2(H)	H(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|H<1>,3|C<3>}	109.1160	0.000	1	109.1160	0.000	1	109.2925	0.142	16	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](CC[6a]2C)(O[5]C[5])2(H)	H(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH){1|C<4>,3|C<3>}	109.1810	0.000	1	109.1810	0.000	1	109.2925	0.142	16	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](CC[6a]2H)(O[5]C[5])2(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](CC[6a]2H)(O[5]C[5])2(H){4|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.6448	0.145	4	109.6448	0.021	4	109.2925	0.142	16	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](CN[5a]HH)(O[5]C[5])2(H)	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](CN[5a]HH)(O[5]C[5])2(H){4|H<1>}	H(C[5]O[5]2C)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.1804	0.394	10	109.1804	0.155	10	109.2925	0.142	16	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	H(C[5]C[3,5]O[5]O)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	H(C[5]C[3,5]O[5]O)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO){1|O<2>,2|H<1>,3|C<4>}	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	H(C[5]C[3,5]O[5]O)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]O[5]O)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO){1|C<3>,1|C<4>,1|H<1>}	110.0750	0.000	1	110.0750	0.000	1	109.5945	0.462	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	H(C[5]C[3,5]O[5]O)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]O[5]O)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO){1|N<3>,2|C<4>,2|H<1>}	109.1140	0.000	1	109.1140	0.000	1	109.5945	0.462	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	H(C[5]C[3,5]O[5]S)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	H(C[5]C[3,5]O[5]S)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	110.3140	0.000	1	110.3140	0.000	1	110.3625	0.005	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	H(C[5]C[3,5]O[5]S)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	H(C[5]C[3,5]O[5]S)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS){1|C<4>,2|O<2>,3|H<1>}	110.4110	0.000	1	110.4110	0.000	1	110.3625	0.005	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[3x6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H)	H(C[5]C[3x6]O[5]2)	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[3x6]O[5]2)	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	109.5643	0.373	4	109.5643	0.139	4	109.5643	0.139	4	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[4]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H)	H(C[5]C[4]O[5]2)	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH)	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H){4|C<4>,5|H<1>}	H(C[5]C[4]O[5]2)	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.0048	0.072	4	110.0048	0.005	4	110.0048	0.005	4	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	109.5420	0.116	2	109.5420	0.013	2	109.4052	0.168	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH){3|C<4>,4|H<1>}	109.3367	0.506	4	109.3367	0.256	4	109.4052	0.168	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H){2|C<4>,5|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|C<4>,2|H<1>}	110.0730	0.396	2	110.0730	0.157	2	110.0730	0.157	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO){1|C<3>,2|C<4>,4|H<1>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.8130	0.176	3	110.8130	0.031	3	110.7203	0.059	8	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.9440	0.000	1	110.9440	0.000	1	110.7203	0.059	8	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.8430	0.000	1	110.7210	0.012	3	110.7203	0.059	8	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.6600	0.037	2	110.7210	0.012	3	110.7203	0.059	8	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO){2|H<1>,3|C<4>}	110.2160	0.000	1	110.2160	0.000	1	110.7203	0.059	8	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	109.6140	0.000	1	109.6140	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO){2|C<4>,2|H<1>}	111.4940	0.000	1	111.4940	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|O<2>,2|H<1>}	110.7520	0.000	1	110.7520	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	110.5260	0.000	1	110.5260	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){2|C<4>,2|O<2>}	110.5290	0.000	1	110.5290	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.5804	0.703	8	110.5804	0.495	8	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO){2|C<4>,2|O<2>,3|H<1>}	110.5225	0.252	2	110.5225	0.064	2	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO){1|C<4>,3|H<1>,3|O<2>}	110.3572	0.507	4	110.3572	0.257	4	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.1455	0.145	2	110.1455	0.021	2	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){1|N<3>,1|O<2>,2|H<1>}	106.0380	0.000	1	108.2365	9.667	2	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.4350	0.000	1	108.2365	9.667	2	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<3>,1|H<1>,2|O<2>}	110.6270	0.000	1	110.6333	0.001	3	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	110.6365	0.032	2	110.6333	0.001	3	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	111.1060	0.000	1	111.1060	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H)	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]O)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO){1|O<2>,4|C<4>}	110.9180	0.000	1	110.9180	0.000	1	110.3829	0.988	28	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H)	H(C[5]C[5,5]O[5]S)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]S)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS){1|C<3>,2|C<4>,2|H<1>}	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	H(C[5]C[5,6,6]O[5]O)	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]O)	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO){1|O<2>,2|C<4>,3|C<3>}	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	H(C[5]C[5,6,6]O[5]O)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]O)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	107.9045	0.332	2	107.9045	0.110	2	108.9863	3.566	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	H(C[5]C[5,6,6]O[5]O)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]O)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|C<3>,2|C<4>}	111.1500	0.000	1	111.1500	0.000	1	108.9863	3.566	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,5]C[5,5,6]C[5a]C[5])(C[5]C[5,6]HO)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,5]C[5,5,6]C[5a]C[5])(C[5]C[5,6]HO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO){1|C<3>,3|C<4>,3|H<1>}	110.1130	0.000	1	110.1130	0.000	1	108.7697	12.420	7	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	110.4540	0.000	1	110.4540	0.000	1	108.7697	12.420	7	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|O<1>,2|H<1>,3|C<4>}	105.4805	6.626	2	105.4805	43.908	2	108.7697	12.420	7	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	109.8040	0.000	1	109.8040	0.000	1	108.7697	12.420	7	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	110.2460	0.000	1	110.2460	0.000	1	108.7697	12.420	7	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|C<4>,1|N<3>,5|H<1>}	109.8100	0.000	1	109.8100	0.000	1	108.7697	12.420	7	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	110.0913	0.198	3	110.1008	0.064	6	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	110.1103	0.349	3	110.1008	0.064	6	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]O)	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]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	110.2130	0.038	2	110.2130	0.001	2	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	110.2160	0.000	1	110.2160	0.000	1	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<4>,2|H<1>}	109.9245	0.220	4	109.9245	0.048	4	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	105.1385	0.599	2	105.1385	0.359	2	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	H(C[5]C[5,6]O[5]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]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	110.5490	0.000	1	110.5490	0.000	1	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	115.3880	0.000	1	115.3880	0.000	1	109.8329	4.823	17	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:N[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]C[5]2Fe)(N[5]C[5])(O[5]P[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(P[5]C[5]CW)	C[5](C[5]C[5]2Fe)(N[5]C[5])(O[5]P[5])(H){1|W<6>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(P[5]C[5]CW){1|Fe<10>,3|C<4>}	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	108.8480	0.000	1	108.8480	0.000	1	109.3053	0.496	9	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.8480	0.000	1	108.8480	0.000	1	109.3053	0.496	9	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.2123	0.010	3	109.2123	0.000	3	109.3053	0.496	9	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8270	0.000	1	109.8270	0.000	1	109.3053	0.496	9	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.9020	1.506	2	109.9020	2.268	2	109.3053	0.496	9	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	108.7840	0.000	1	108.7840	0.000	1	109.3053	0.496	9	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	B[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]O[5]O)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO){1|C<4>,1|H<1>,4|C<3>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|C<4>,1|S<4>,3|H<1>}	109.7500	1.178	2	109.7500	1.388	2	109.9683	0.837	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|N<3>,1|S<4>,3|H<1>}	110.4050	0.000	1	110.4050	0.000	1	109.9683	0.837	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	H(C[5]C[5]O[5]O)	O[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HO)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HO){1|C<3>,3|C<4>,4|H<1>}	111.1020	0.000	1	111.1020	0.000	1	108.6130	12.390	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H)	H(C[5]C[5]O[5]O)	O[5](C[3x5]C[5,5,6,6]C[5,5,6]C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[3x5]C[5,5,6,6]C[5,5,6]C[5])(C[5]C[5]HO){2|O<2>,4|C<4>,4|H<1>}	106.1240	0.000	1	106.1240	0.000	1	108.6130	12.390	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5]HO)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H){4|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO){5|C<4>,5|H<1>}	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	110.5330	0.000	1	110.5330	0.000	1	108.6883	3.330	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	106.8840	0.000	1	106.8840	0.000	1	108.6883	3.330	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	108.6480	0.000	1	108.6480	0.000	1	108.6883	3.330	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	111.0574	0.304	5	110.9863	0.104	6	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|N<3>,2|C<4>,2|H<1>}	110.6310	0.000	1	110.9863	0.104	6	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	103.7820	1.373	2	103.7820	1.886	2	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	110.3250	0.000	1	110.3250	0.000	1	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){2|C<4>,5|H<1>}	105.6390	0.000	1	105.6390	0.000	1	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){2|C<4>,3|H<1>}	109.5780	0.351	2	109.5780	0.123	2	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){1|C<3>,3|H<1>,3|O<2>}	111.1620	0.000	1	111.1620	0.000	1	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]O)	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>}	111.2750	0.000	1	111.2750	0.000	1	109.3599	7.878	14	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO){4|C<4>,5|H<1>}	107.4867	1.653	3	107.4867	2.732	3	107.4867	2.732	3	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO){1|O<2>,2|C<4>,2|H<1>}	110.0930	0.000	1	110.0930	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	110.3320	0.000	1	110.0400	0.171	2	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){3|C<4>,4|H<1>}	109.7480	0.000	1	110.0400	0.171	2	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	109.9860	0.000	1	109.9860	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.8130	0.000	1	110.0280	0.092	2	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.2430	0.000	1	110.0280	0.092	2	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	109.8560	0.000	1	109.8560	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){1|O<2>,1|S<2>,5|H<1>}	110.3600	0.314	2	110.4810	0.054	4	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|O<2>,5|H<1>}	110.6020	0.079	2	110.4810	0.054	4	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO){2|C<4>,5|H<1>}	111.1010	0.000	1	111.1010	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|C<4>,2|H<1>,3|O<2>}	109.7800	0.000	1	109.7800	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.3640	0.000	1	107.3640	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO){1|C<3>,2|C<4>,7|H<1>}	110.5160	0.000	1	110.5160	0.000	1	110.0504	0.702	15	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	111.5510	0.000	1	111.5510	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){2|C<4>,2|H<1>,4|C<3>}	110.3355	0.446	2	110.3355	0.199	2	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|H<1>,1|O<2>,2|C<4>}	109.8280	0.000	1	109.8280	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	110.4897	0.362	3	110.5157	0.090	4	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|C<4>,2|C<3>,3|H<1>}	110.5940	0.000	1	110.5157	0.090	4	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<4>,1|O<2>,2|H<1>}	110.4030	0.511	2	110.4030	0.261	2	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H){4|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,3|H<1>}	110.5390	0.000	1	110.5390	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)2	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)2{1|C<4>,1|H<1>,2|O<2>}	110.5460	0.000	1	110.5460	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,3|H<1>}	110.3260	0.000	1	110.5303	0.372	3	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	110.6325	0.825	2	110.5303	0.372	3	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	109.9090	0.410	2	109.9090	0.168	2	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	104.5630	9.190	2	104.5630	84.449	2	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){4|C<3>,4|H<1>}	110.6840	0.000	1	110.6840	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	109.8760	0.000	1	109.8760	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	109.5070	0.000	1	109.5070	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){4|H<1>}	110.4890	0.000	1	110.4890	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|H<1>,2|N<3>}	109.8020	0.000	1	109.8020	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|N<3>,3|H<1>}	111.2775	0.073	2	111.2775	0.005	2	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CC)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CC)(C[5]C[5]HO){1|O<1>,1|O<2>,2|H<1>}	110.9040	0.000	1	110.9040	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.5092	2.011	12	109.6600	4.003	13	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<3>}	111.4700	0.000	1	109.6600	4.003	13	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)2{1|C<4>,1|H<1>,2|O<2>}	109.7130	0.000	1	109.7130	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	110.8020	0.000	1	110.8020	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	110.3450	0.020	2	110.3450	0.000	2	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	110.1420	0.000	1	110.1420	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|Se<4>,1|O<2>,2|H<1>}	111.4480	0.000	1	111.4480	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|H<1>}	109.8710	0.000	1	109.8710	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|C<3>,2|H<1>}	110.0390	0.000	1	110.0390	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]O)	O[5](C[5]C[5]HO)(C[5]S[5]CH){2|H<1>}	110.4150	0.000	1	110.4150	0.000	1	109.9807	4.346	49	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H)	H(C[5]C[5]O[5]2)	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]O[5]2)	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>}	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H)	H(C[5]C[5]O[5]2)	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]O[5]2)	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]O[5]H){1|C<3>,1|O<2>,6|C<4>}	109.7330	0.000	1	109.7330	0.000	1	109.3085	0.442	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5]C[5]O[5]2)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]O[5]2)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.0860	0.000	1	110.0860	0.000	1	109.3085	0.442	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H)	H(C[5]C[5]O[5]2)	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H)	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H){2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]O[5]2)	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>}	109.0080	0.595	4	109.0080	0.354	4	109.3085	0.442	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5,5]-4:	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5,5]C[5]3)	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5,5]C[5]3){2|O<2>,4|H<1>,5|C<4>}	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO)	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.1120	0.000	1	110.1120	0.000	1	109.5510	0.100	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H)	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	109.3670	0.006	2	109.3670	0.000	2	109.5510	0.100	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])2(H)	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])2(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	109.3550	0.033	2	109.3550	0.001	2	109.5510	0.100	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]O[5]2)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO){1|O<2>,4|C<4>}	109.7500	0.000	1	109.7500	0.000	1	109.5510	0.100	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	H(C[5]C[5]O[5]S)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]S)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	H(C[5]C[5]O[5]S)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]S)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	109.0880	0.243	2	109.0880	0.059	2	109.0880	0.059	2	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H){2|H<1>,6|C<4>}	109.8335	0.004	2	109.8335	0.000	2	109.4682	0.307	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.8210	0.000	1	108.8210	0.000	1	109.4682	0.307	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H){1|C<3>,3|H<1>,4|C<4>}	109.8155	0.033	2	109.8155	0.001	2	109.4682	0.307	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[6]O[5]2)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H){1|C<3>,1|H<1>,4|C<4>}	108.6900	0.000	1	108.6900	0.000	1	109.4682	0.307	6	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	107.9209	3.357	8	107.9209	11.271	8	108.5180	7.269	13	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H){4|C<4>,6|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|H<1>,3|C<4>}	109.2620	0.007	2	109.2620	0.000	2	108.5180	7.269	13	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	109.2575	0.019	2	109.2575	0.000	2	108.5180	7.269	13	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:2:1:	4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5])2(H)	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[6]O[5]2)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	110.3280	0.000	1	110.3280	0.000	1	108.5180	7.269	13	109.6654	2.995	243	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H)	H(C[5]C[5,5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH){1|C<4>,2|H<1>,3|C<3>}	110.0190	0.000	1	110.0190	0.000	1	109.9895	0.002	2	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H)	H(C[5]C[5,5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5,5]CH){1|H<1>,5|C<3>}	109.9600	0.000	1	109.9600	0.000	1	109.9895	0.002	2	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5,6]CH){2|H<1>,3|C<4>}	110.3220	0.023	2	110.3220	0.001	2	110.3220	0.001	2	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5]CH)	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H){1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5]CH){2|H<1>,3|C<4>}	110.2975	0.722	4	110.2975	0.522	4	110.2975	0.522	4	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]N[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5,6,6]HH)(O[5]N[5,6])(COO)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	110.4230	0.000	1	110.4230	0.000	1	110.3025	0.029	2	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6]2)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6]2)(C[5]C[5]CH){1|O<2>,2|C<4>,4|H<1>}	110.1820	0.000	1	110.1820	0.000	1	110.3025	0.029	2	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.4500	0.000	1	109.4500	0.000	1	109.8680	0.253	4	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	110.3140	0.000	1	110.0073	0.262	3	109.8680	0.253	4	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	109.8540	0.619	2	110.0073	0.262	3	109.8680	0.253	4	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	P[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](P[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H){1|C<4>}	H(C[5]C[5]O[5]C)	O[5](P[5]C[5]O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	109.9592	0.347	4	109.9592	0.120	4	109.9592	0.120	4	110.0959	0.198	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	108.9430	0.218	2	108.9430	0.047	2	108.9430	0.047	2	108.5869	1.171	8	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H){1|C<3>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	108.6680	0.000	1	108.6680	0.000	1	108.4682	1.562	6	108.5869	1.171	8	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){2|C<3>,2|H<1>}	107.5905	0.969	2	107.5905	0.940	2	108.4682	1.562	6	108.5869	1.171	8	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	108.7660	0.000	1	108.7660	0.000	1	108.4682	1.562	6	108.5869	1.171	8	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	107.6120	0.000	1	107.6120	0.000	1	108.4682	1.562	6	108.5869	1.171	8	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	110.5820	0.000	1	110.5820	0.000	1	108.4682	1.562	6	108.5869	1.171	8	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH){1|N<3>,2|C<4>,4|H<1>}	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5]C[5,5,6]N[6a]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]N[6a]O[5])	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|N<3>,1|O<2>,2|H<1>}	109.1370	0.000	1	109.1370	0.000	1	109.0627	0.014	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]O[5]CC){2|C<4>}	109.0255	0.144	2	109.0255	0.021	2	109.0627	0.014	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H){1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(S[5]N[5,5]OO){1|C<3>,1|C<4>,1|H<1>}	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H)	H(C[5]C[5,5]O[5]N)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]N)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HN){1|C<4>,3|H<1>,3|O<2>}	107.8230	0.000	1	107.8230	0.000	1	109.2230	1.753	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H)	H(C[5]C[5,5]O[5]N)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]N)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN){2|H<1>,2|O<2>}	109.9230	0.752	2	109.9230	0.566	2	109.2230	1.753	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5,6,6]O[5]C)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]C)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	106.6063	0.066	3	106.6063	0.004	3	106.6063	0.004	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH){1|O<2>,3|C<4>,3|H<1>}	108.5480	0.000	2	108.5480	0.000	2	108.5480	0.000	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,1|C<4>,5|H<1>}	107.7760	0.000	1	107.7760	0.000	1	109.8127	2.858	4	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH){3|H<1>,4|C<3>}	110.1430	0.000	1	110.1430	0.000	1	109.8127	2.858	4	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>}	111.8620	0.000	1	110.6660	2.861	2	109.8127	2.858	4	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<4>,2|C<3>,2|H<1>}	109.4700	0.000	1	110.6660	2.861	2	109.8127	2.858	4	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	107.7795	2.316	2	108.2193	2.505	4	109.6678	12.370	5	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	107.8290	0.000	1	108.2193	2.505	4	109.6678	12.370	5	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	109.4890	0.000	1	108.2193	2.505	4	109.6678	12.370	5	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH){1|C<3>,2|H<1>,4|C<4>}	115.4620	0.000	1	115.4620	0.000	1	109.6678	12.370	5	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5,6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5,6]C[5]O[5])	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>}	H(C[5]C[5,6]C[5]O[5])	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>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H){2|O<2>}	H(C[5]C[5]O[5]C)	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	109.2399	0.624	16	109.2399	0.389	16	109.2399	0.389	16	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.3655	0.003	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH){2|O<2>,3|C<4>,5|H<1>}	109.4040	0.000	1	109.4040	0.000	1	109.3655	0.003	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	107.8490	0.000	1	107.8490	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	H(C[5]C[5]O[5]C)	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>}	109.1870	0.000	1	109.1870	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	108.2410	0.000	1	108.2410	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.2740	0.068	2	109.2740	0.005	2	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	108.7590	0.000	1	108.7590	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	109.3090	0.000	1	109.3090	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	H(C[5]C[5]O[5]C)	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>}	108.9970	0.000	1	108.9970	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){4|C<4>,6|H<1>}	109.8510	0.173	2	109.8510	0.030	2	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	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>}	109.2750	0.000	1	109.2750	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5]3)(C[5]C[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,5|C<4>}	109.6060	0.000	1	109.6060	0.000	1	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	109.1180	0.031	2	109.1180	0.001	2	109.1221	0.307	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){2|H<1>,3|C<4>}	109.2330	0.000	1	109.2330	0.000	1	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H){1|Cr<9>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CH){2|C<4>,3|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	109.4670	0.000	1	109.4670	0.000	1	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.3540	0.000	1	109.3540	0.000	1	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	109.5560	0.000	1	109.5560	0.000	1	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	110.6675	2.221	2	108.7740	13.768	6	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	111.3930	1.000	2	108.7740	13.768	6	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	104.2615	1.136	2	108.7740	13.768	6	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	108.9945	0.172	2	108.9945	0.030	2	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.2540	0.000	1	109.2540	0.000	1	108.9756	5.434	14	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH){2|C<4>,2|H<1>}	108.8180	0.000	1	108.8180	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	107.2060	0.000	1	107.2060	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{2|C<3>,2|H<1>}	109.3660	0.683	2	109.3660	0.467	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	107.5630	0.000	1	107.5630	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	109.7350	0.000	1	109.7350	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){1|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	108.3780	0.000	1	108.3780	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.4940	0.000	1	109.4940	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	109.1020	0.000	1	109.1020	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	110.2500	0.000	1	110.2500	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	92.7748	0.000	1	92.7748	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.8270	0.000	1	108.8270	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.6507	1.934	3	108.6507	3.740	3	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	110.5973	2.553	4	110.5973	6.520	4	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	108.5380	0.000	1	108.5380	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	109.0560	0.000	1	109.0560	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.8210	0.000	1	108.8210	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	109.2620	0.000	1	109.2620	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.9940	2.393	2	110.9940	5.726	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.9085	0.561	2	109.9085	0.314	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.3380	0.000	1	109.4475	0.024	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.5570	0.000	1	109.4475	0.024	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	108.2820	0.000	1	108.2820	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|C<3>,2|H<1>}	107.5570	0.000	1	107.5570	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	108.8260	0.757	2	108.8260	0.572	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.7288	3.624	4	111.7288	13.130	4	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	108.8640	0.000	1	108.8640	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>}	109.5130	0.000	1	109.5130	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.6550	0.382	2	109.4096	1.451	5	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.2460	1.652	3	109.4096	1.451	5	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	111.5740	1.711	2	111.5740	2.928	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8450	0.000	1	108.8450	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.5820	0.000	1	111.5820	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH){1|H<1>,1|S<2>,2|C<3>}	110.1005	0.111	2	110.1005	0.012	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	109.7118	0.696	12	109.7118	0.484	12	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.6950	0.000	1	108.6950	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	110.1430	0.000	1	110.1430	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	111.2445	2.142	6	111.2445	4.587	6	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.1220	0.721	2	110.1220	0.520	2	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	118.4640	0.000	1	118.4640	0.000	1	109.6830	7.608	74	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|C<3>,2|H<1>}	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	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>}	108.4207	0.368	6	108.4207	0.136	6	108.4207	0.136	6	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<4>,3|C<3>,6|H<1>}	110.4070	0.000	1	109.9375	0.441	2	109.9375	0.441	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5]3)(C[5]C[5]2H){1|C<3>,4|C<4>,6|H<1>}	109.4680	0.000	1	109.9375	0.441	2	109.9375	0.441	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C[5a]-3:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H)	H(C[5]C[5a]C[5]O[5])	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5a]C[5]O[5])	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>}	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	109.7310	0.263	2	109.7310	0.069	2	109.7310	0.069	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HN)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]N)	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HN){2|C<4>,2|O<2>,3|H<1>}	109.2230	0.000	1	109.2230	0.000	1	107.8993	1.817	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H)	H(C[5]C[5]O[5]N)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]N)	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>}	107.2375	1.003	2	107.2375	1.007	2	107.8993	1.817	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.5951	0.067	8	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	109.4200	0.000	1	109.4200	0.000	1	109.5951	0.067	8	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	109.8535	0.084	2	109.8535	0.007	2	109.5951	0.067	8	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){4|H<1>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HH)(C[5]C[5]HN){4|H<1>}	109.5400	0.283	2	109.5400	0.080	2	109.5951	0.067	8	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H)	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H){4|H<1>}	H(C[5]C[5]O[5]N)	O[5](C[5]C[5]HH)(C[5]C[5]HN){4|H<1>}	109.6845	0.159	2	109.6845	0.025	2	109.5951	0.067	8	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	H(C[5]C[5]N[6]O[5])	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H){2|C<3>,2|F<1>,3|H<1>}	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]N[6]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[5]-4:O[5]-2:N[6a]-3:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	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>}	109.8020	0.000	1	109.8020	0.000	1	110.7283	0.732	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	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>}	111.1915	0.421	2	111.1915	0.177	2	110.7283	0.732	3	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]C[6]O[5])	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>}	H(C[5]C[5]C[6]O[5])	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>}	110.2375	0.103	2	110.2375	0.011	2	110.2375	0.011	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	P[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	H(C[5]O[5]P[5]C)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5]O[5]P[5]C)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH){1|C<4>,1|H<1>,6|C<3>}	110.2680	0.000	1	110.6735	0.329	2	110.6735	0.329	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	4:4:	P[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	H(C[5]O[5]P[5]C)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){7|C<3>}	H(C[5]O[5]P[5]C)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH){7|C<3>}	111.0790	0.000	1	110.6735	0.329	2	110.6735	0.329	2	109.3869	4.360	180	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:3:1:	4:	5:4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	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>}	112.0365	5.237	4	112.0365	27.423	4	112.0365	27.423	4	112.0365	27.423	4	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5,6,6]-3:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	H(C[5]C[5,6,6]O[5]C)	O[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6,6]CH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]C)	O[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6,6]CH){1|C<3>,2|C<4>,4|H<1>}	109.5693	0.166	3	109.5693	0.028	3	109.5693	0.028	3	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	108.7070	0.000	1	108.7070	0.000	1	109.6305	1.706	2	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]CH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.5540	0.000	1	110.5540	0.000	1	109.6305	1.706	2	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.2380	0.000	1	109.2380	0.000	1	109.6903	0.472	3	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H)	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	109.9165	0.798	2	109.9165	0.637	2	109.6903	0.472	3	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[5,5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H){3|C<4>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[5,5]C)(C[5]C[5]CH){2|C<4>,2|H<1>}	109.4170	0.000	1	109.4170	0.000	1	109.5568	0.632	5	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	108.5000	0.000	1	108.5000	0.000	1	109.5568	0.632	5	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.5568	0.632	5	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	110.2245	0.692	2	110.2245	0.479	2	109.5568	0.632	5	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:S-4:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(SC[6a]OO)(H)	H(C[5]C[5]O[5]S)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]HS)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(SC[6a]OO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]S)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]HS){2|C<4>,5|H<1>}	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	3:4:	C[5]-4:O[5]-2:S-4:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(SC[6a]OO)(H)	H(C[5]C[5]O[5]S)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(SC[6a]OO)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]S)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS){1|C<3>,3|C<4>,3|H<1>}	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	109.4319	0.654	16	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(N[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(N[5]C[5,5]C){1|H<1>,1|O<2>,2|C<3>}	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>}	109.2020	0.544	3	109.2020	0.296	3	109.2020	0.296	3	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	104.6060	0.000	1	104.6060	0.000	1	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	109.2310	0.406	2	109.2310	0.165	2	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]H)	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	109.0095	0.008	2	109.0095	0.000	2	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	108.9643	0.421	3	108.9643	0.177	3	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	109.7100	0.000	1	109.7100	0.000	1	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	109.4370	0.000	1	109.4370	0.000	1	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	109.6003	0.806	4	109.6003	0.649	4	108.9663	1.846	14	109.0270	1.462	18	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	109.8390	0.000	1	109.8390	0.000	1	109.4100	0.279	6	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	109.4400	0.374	3	109.4400	0.140	3	109.4100	0.279	6	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	109.7800	0.000	1	109.7800	0.000	1	109.4100	0.279	6	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	H(C[5]C[3,5]O[5]C)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	108.5210	0.000	1	108.5210	0.000	1	109.4100	0.279	6	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	H(C[5]C[4,5,6]O[5]C)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[4,5,6]O[5]C)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH){1|C<3>,1|N<3>,2|C<4>}	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	108.8530	0.000	1	109.0477	0.100	3	108.9085	0.144	4	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	108.8780	0.000	1	109.0477	0.100	3	108.9085	0.144	4	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	109.4120	0.000	1	109.0477	0.100	3	108.9085	0.144	4	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[4,5]O[5]C)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.4910	0.000	1	108.4910	0.000	1	108.9085	0.144	4	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]CH)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]CH)2{2|C<4>,2|H<1>}	108.5420	0.000	1	108.5420	0.000	1	108.8850	0.098	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]CH)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]CH)2{2|C<4>,2|H<1>}	108.9570	0.000	1	108.9570	0.000	1	108.8850	0.098	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]C)	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	109.1560	0.000	1	109.1560	0.000	1	108.8850	0.098	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.3945	0.397	2	109.3945	0.157	2	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH){1|C<3>,2|C<4>,2|O<2>}	108.7260	0.000	1	108.7260	0.000	1	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	109.6080	0.000	2	109.6080	0.000	2	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	108.8430	0.000	1	108.8430	0.000	1	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	107.5090	0.000	1	107.5090	0.000	1	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]CH){1|Ru<8>,2|H<1>,2|O<2>,3|C<4>}	109.0320	0.472	2	109.0320	0.223	2	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH){1|C<4>,3|O<2>,4|H<1>}	108.5955	1.532	2	108.7327	1.230	3	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH){1|Ru<7>,2|H<1>,2|O<2>,3|C<4>}	109.0070	0.000	1	108.7327	1.230	3	108.9454	0.581	12	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.8330	0.000	1	109.8330	0.000	1	108.6135	2.974	2	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH){1|C<3>,1|N<2>,3|O<2>,4|H<1>}	107.3940	0.000	1	107.3940	0.000	1	108.6135	2.974	2	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5,5]-4:	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5,5]C[5]3)	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H){2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5,5]C[5]3){2|O<2>,3|C<4>,5|H<1>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH){1|C<3>,1|H<1>,2|C<4>}	107.9130	0.092	2	107.9130	0.008	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.2660	0.000	1	109.2660	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|Fe<8>,2|C<4>}	110.5560	0.636	2	110.5560	0.405	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	108.6280	0.000	1	108.6280	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)2{1|C<4>,1|H<1>,2|O<2>}	107.7740	0.000	1	107.7740	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	107.2900	0.000	1	107.2900	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	108.2350	0.000	1	108.2350	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH){1|C<4>,3|H<1>,3|O<2>}	104.4700	0.362	2	104.4700	0.131	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	108.9780	0.216	2	108.9780	0.047	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	108.5200	0.000	1	108.5200	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	109.2500	0.000	1	109.2500	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)2{1|C<4>,1|H<1>,2|O<2>}	114.2090	0.000	1	114.2090	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.9170	0.000	1	109.9170	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN){2|H<1>,2|O<2>}	107.9995	0.449	2	107.9995	0.202	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	108.5955	0.175	2	108.5955	0.031	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.4620	0.000	1	108.8007	0.661	4	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	108.9137	0.957	3	108.8007	0.661	4	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3030	0.353	3	109.3030	0.124	3	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	108.7885	0.622	2	108.7885	0.386	2	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	109.3300	0.000	1	109.3300	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH){2|H<1>,4|C<3>}	107.5160	0.000	1	107.5160	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]CC)	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	108.6730	0.000	1	108.6730	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	108.2086	1.215	8	108.2191	1.982	14	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	107.1310	0.000	1	108.2191	1.982	14	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	107.2453	1.152	3	108.2191	1.982	14	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	110.2655	0.610	2	108.2191	1.982	14	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){1|N<3>,1|O<2>,2|H<1>}	107.2780	0.000	1	107.2780	0.000	1	108.5139	2.476	48	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	H(C[5]C[5,6,6]O[5]C)	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	H(C[5]C[5,6,6]O[5]C)	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH){1|C<3>,2|H<1>,3|C<4>}	108.0955	0.192	2	108.0955	0.037	2	108.0955	0.037	2	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6,6]O[5]C)	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]O[5]C)	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH){1|H<1>,3|C<4>}	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	108.9755	0.080	2	108.9755	0.006	2	108.9755	0.006	2	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]CH){1|O<2>,2|H<1>,5|C<4>}	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH){5|C<4>,5|H<1>}	114.9020	0.000	1	114.9020	0.000	1	111.3013	9.759	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH){1|O<2>,3|H<1>,4|C<4>}	109.5010	0.264	2	109.5010	0.070	2	111.3013	9.759	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,2|H<1>,3|C<4>}	108.3840	0.000	1	108.3840	0.000	1	108.4714	0.640	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,5|H<1>}	107.5190	0.000	1	107.5190	0.000	1	108.4714	0.640	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH){1|N<3>,2|C<3>,3|H<1>}	108.3580	0.000	1	108.3580	0.000	1	108.4714	0.640	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH){1|C<3>,1|H<1>,3|C<4>}	109.0480	0.983	2	109.0480	0.966	2	108.4714	0.640	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	108.3850	0.000	1	108.3850	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>}	109.3560	0.000	1	109.3560	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	107.3208	0.738	4	107.6163	0.567	6	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.2075	0.390	2	107.6163	0.567	6	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	109.0180	0.000	1	109.0180	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	106.1235	0.837	2	106.1235	0.700	2	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	109.1110	0.000	1	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.9970	0.701	6	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.4210	0.000	1	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.2070	0.000	1	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.4837	0.162	3	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.8820	0.000	1	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.3750	0.000	1	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	109.0370	0.000	1	108.7644	0.276	15	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.2260	0.000	1	107.1260	0.020	2	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.0260	0.000	1	107.1260	0.020	2	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.4360	0.000	1	108.4360	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	105.9270	0.000	1	105.9270	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	109.0410	0.000	1	109.0410	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	108.1340	0.000	1	108.1340	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	109.3830	0.000	1	109.1900	0.074	2	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	108.9970	0.000	1	109.1900	0.074	2	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH){1|H<1>,5|C<3>}	107.2370	0.000	1	107.2370	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]O[5]CC)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]O[5]CC){2|C<4>}	109.3470	0.000	1	109.3470	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	110.3940	0.000	1	110.3940	0.000	1	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	110.0635	0.151	2	110.0635	0.023	2	108.3960	1.255	39	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H){1|B<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH){2|C<4>,2|O<2>,3|H<1>}	109.7105	0.006	2	109.7105	0.000	2	109.6807	0.003	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H){2|C<4>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH){2|H<1>,4|C<4>}	109.6210	0.000	1	109.6210	0.000	1	109.6807	0.003	3	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	B[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]O[5]C)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH)	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]CH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]CH){1|C<4>,5|H<1>}	109.4225	0.165	2	109.4225	0.027	2	109.6092	0.072	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[4,5]C[4,5]N[5a]C[4])(C[5]C[5]CH)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[4,5]C[4,5]N[5a]C[4])(C[5]C[5]CH){2|C<3>,2|O<2>,4|H<1>}	110.0430	0.000	1	110.0430	0.000	1	109.6092	0.072	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[4,5]C[4]2C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[4,5]C[4]2C[5])(C[5]C[5]CH){1|N<3>,2|O<2>,6|H<1>}	109.5790	0.047	2	109.5790	0.002	2	109.6092	0.072	5	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH){2|H<1>,5|C<4>}	108.9145	0.471	4	108.9145	0.222	4	108.9145	0.222	4	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	109.9850	0.000	1	109.9850	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	108.6750	0.000	1	108.6750	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.1080	0.000	1	108.1080	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	108.4970	0.000	1	108.4970	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	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>}	109.5520	0.000	1	109.5520	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.7695	0.404	2	108.7695	0.163	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	108.9410	0.000	1	108.9410	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	109.2790	0.042	2	109.2790	0.002	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,3|H<1>}	109.1080	0.177	2	109.1080	0.031	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	108.3690	1.912	3	108.3690	3.655	3	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	109.1140	0.000	1	109.1140	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.3300	0.117	2	109.3300	0.014	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.5100	0.000	1	108.5100	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	108.4840	0.000	1	108.4840	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.2509	0.429	10	109.2509	0.184	10	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	109.3150	0.386	4	109.3150	0.149	4	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	109.0110	0.409	2	109.0110	0.167	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.6423	0.668	3	109.6423	0.447	3	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	109.1750	0.000	1	108.8998	0.999	12	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	107.2055	0.045	2	108.8998	0.999	12	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.2458	0.715	9	108.8998	0.999	12	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.2580	0.000	1	110.2580	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	108.8965	0.081	2	108.8965	0.007	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.9540	0.496	2	108.9540	0.246	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,3|H<1>,3|O<2>}	109.4680	0.000	1	109.4680	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.0695	0.011	2	109.0695	0.000	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	109.2030	0.000	1	109.2030	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	108.4150	0.000	1	109.4935	0.575	4	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.8530	0.296	3	109.4935	0.575	4	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.8091	1.144	11	108.8091	1.309	11	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.3360	0.506	2	111.3360	0.256	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	105.7680	0.000	1	107.4025	5.343	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0370	0.000	1	107.4025	5.343	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	111.1059	2.961	7	111.1059	8.768	7	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.9295	0.891	4	108.9295	0.794	4	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	109.0055	0.448	2	109.0055	0.200	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.6940	0.000	1	109.6940	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|H<1>,2|C<4>,4|C<3>}	105.1860	0.000	1	105.1860	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	109.1140	0.000	1	109.1140	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|Br<1>,1|Cl<1>,2|C<4>,4|H<1>}	107.9320	0.000	1	107.9320	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|Br<1>,2|C<4>,5|H<1>}	108.3270	0.000	1	108.3270	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	109.2070	0.000	1	109.2070	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	109.8010	0.000	1	109.8010	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	108.8600	0.440	5	108.8600	0.193	5	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	H(C[5]C[5]O[5]C)	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>}	105.8310	0.000	1	105.8310	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	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>}	109.0470	0.000	1	107.5580	4.434	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH){4|C<4>,6|H<1>}	106.0690	0.000	1	107.5580	4.434	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	107.7700	0.000	1	107.7700	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	110.2465	2.997	2	110.2465	8.985	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	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>}	109.7980	0.059	2	109.7980	0.004	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.7160	0.000	1	111.7160	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	H(C[5]C[5]O[5]C)	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>}	109.3350	0.000	1	109.3350	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	H(C[5]C[5]O[5]C)	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>}	109.2280	0.000	1	109.2280	0.000	1	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	H(C[5]C[5]O[5]C)	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>}	109.4705	0.255	2	109.4705	0.065	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	108.7834	0.588	13	108.7834	0.345	13	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.0760	1.365	2	109.0760	1.862	2	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	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>}	106.6893	1.179	3	106.6893	1.391	3	109.0522	1.789	135	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	109.1630	0.000	1	109.1630	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	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>}	108.3240	0.000	1	108.3240	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.4510	0.250	2	109.4510	0.063	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	108.2960	0.000	1	108.2960	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.3960	0.000	1	107.3960	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8850	0.000	1	108.8850	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	109.3350	0.000	1	109.3350	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	108.1270	0.000	1	108.1270	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|S<4>,2|C<4>,4|H<1>}	106.1910	0.000	1	106.1910	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|O<2>,4|H<1>}	109.5330	0.000	1	109.5330	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|O<2>,4|H<1>}	112.8030	0.000	1	112.8030	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,3|H<1>,3|O<2>}	108.4450	0.000	1	108.4450	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|O<2>,4|H<1>}	108.7420	0.000	1	108.7420	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|Si<4>,3|C<4>,3|H<1>}	108.8680	0.000	1	108.8680	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	108.9493	0.231	4	108.9493	0.053	4	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|O<1>,3|C<3>,5|H<1>}	109.2600	0.331	2	109.2600	0.110	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH){1|C<4>,2|C<3>,5|H<1>}	103.9280	0.000	1	103.9280	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	109.5100	0.000	1	109.1180	0.307	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){2|C<4>,6|H<1>}	108.7260	0.000	1	109.1180	0.307	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){3|C<4>,5|H<1>}	109.5320	0.000	1	109.5320	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	108.4615	0.117	2	108.4615	0.014	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<2>,3|C<4>,4|H<1>}	109.6540	0.000	1	109.6540	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	109.3590	0.000	1	109.3590	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	109.5770	0.000	1	109.4325	0.042	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	109.2880	0.000	1	109.4325	0.042	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	110.4458	2.448	34	110.4458	5.995	34	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){3|H<1>,5|C<4>}	109.9180	0.000	1	109.8433	0.020	3	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	109.8060	0.177	2	109.8433	0.020	3	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.5935	0.025	2	109.5935	0.001	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	109.8230	0.286	2	109.8230	0.082	2	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	110.5220	0.322	4	110.5220	0.104	4	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	110.0913	0.630	4	110.0913	0.397	4	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.7833	0.363	6	109.7833	0.131	6	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	109.8870	0.498	3	109.8870	0.248	3	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<3>,2|H<1>,2|N<3>}	109.3890	0.000	1	109.3890	0.000	1	109.7486	3.352	91	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8700	0.000	1	108.8700	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.2750	0.000	1	109.2750	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|Br<1>,3|H<1>}	109.4900	0.000	1	109.4900	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,3|C<4>}	108.2400	0.232	2	108.2400	0.054	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|C<4>,2|F<1>}	109.6360	0.000	1	109.6360	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	109.8720	0.000	1	109.8720	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HS)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HS){1|C<4>,3|H<1>}	108.9540	0.000	1	108.9540	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	109.3970	0.000	1	108.0620	3.612	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	105.8860	0.000	1	108.0620	3.612	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{2|C<4>,2|H<1>}	108.9030	0.000	1	108.0620	3.612	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,3|H<1>}	108.2580	0.000	1	108.2580	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|C<3>,2|H<1>}	108.6670	0.000	1	108.6670	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	109.7790	0.000	1	109.7790	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,3|H<1>}	108.2440	0.000	1	108.2440	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	108.7875	1.172	2	108.7875	1.373	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.7735	0.617	2	108.7735	0.381	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|N<3>,2|H<1>}	107.4290	0.000	1	107.4290	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|H<1>,2|N<3>}	109.1160	0.000	1	109.1160	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	109.0565	0.425	2	109.0565	0.181	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,1|H<1>,2|O<2>}	108.6140	0.000	1	108.6140	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{2|C<4>,2|H<1>}	108.5820	0.000	1	108.5820	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|Cl<1>,3|H<1>}	107.5290	0.247	5	107.5290	0.061	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	106.5550	0.000	1	106.5550	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|F<1>,2|H<1>}	108.8960	0.000	1	108.7080	0.139	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	109.1730	0.000	1	108.7080	0.139	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.5992	0.360	6	108.7080	0.139	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|Br<1>,3|H<1>}	109.0200	0.000	1	108.7934	0.257	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.4990	0.000	1	108.7934	0.257	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	109.0557	0.615	3	108.7934	0.257	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|Cl<1>,3|H<1>}	108.4496	0.228	5	108.7934	0.257	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	109.1828	0.225	5	109.1828	0.051	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2C)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.9290	0.383	2	108.5854	0.231	18	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2C)(C[5]C[5]CH){2|C<4>,5|H<1>}	108.5425	0.484	16	108.5854	0.231	18	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2O)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2O)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	107.5770	0.000	1	107.5770	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	109.3100	0.000	1	108.7437	0.277	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	108.4605	0.271	2	108.7437	0.277	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	109.0407	0.310	9	109.0407	0.096	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	105.7515	0.807	4	105.7515	0.652	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	109.1541	0.199	8	109.1541	0.039	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.2300	0.006	2	109.2300	0.000	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	109.3210	0.000	1	109.8632	0.349	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	110.1087	0.430	6	109.8632	0.349	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	108.9330	0.000	1	109.8632	0.349	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.2440	0.000	1	109.2440	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.9373	0.433	3	108.9373	0.188	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.0790	0.000	1	109.0790	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.3110	0.211	5	109.1754	0.088	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	109.1188	0.317	12	109.1754	0.088	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	108.2640	0.000	1	108.2640	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	108.5320	0.000	1	108.5320	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH){2|C<4>,5|H<1>}	109.0310	0.000	1	109.0310	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H){1|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	110.7570	0.000	1	110.7570	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.4670	0.000	1	109.3658	0.044	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.5600	0.000	1	109.3658	0.044	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	109.2180	0.198	2	109.3658	0.044	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	109.2290	0.000	1	109.0855	0.041	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	108.9420	0.000	1	109.0855	0.041	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	103.5500	0.000	1	103.5500	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	110.2933	1.845	7	110.2933	3.404	7	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	107.5230	0.000	1	107.9544	0.177	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	108.0023	0.417	9	107.9544	0.177	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	107.4370	0.000	1	107.4370	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	108.8620	0.000	1	108.8620	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	109.0390	0.000	1	109.0390	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	109.7830	0.000	1	109.6650	0.028	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.5470	0.000	1	109.6650	0.028	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.6560	0.000	1	109.1728	0.097	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,4|H<1>}	109.0520	0.180	4	109.1728	0.097	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.6390	0.000	1	109.5660	0.587	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	109.5295	1.080	2	109.5660	0.587	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.7250	0.000	1	110.7250	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	108.8010	0.000	1	110.3965	5.091	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	111.9920	0.000	1	110.3965	5.091	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.6630	0.109	2	109.6630	0.012	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.7660	0.000	1	109.7660	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	109.3575	0.111	2	109.3575	0.012	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|I<1>,1|O<2>,2|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|I<1>,1|O<2>,2|H<1>}	109.9630	0.000	1	109.9630	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|I<1>,2|C<3>,3|H<1>}	106.4640	0.000	1	106.4640	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	109.4620	0.000	1	109.4620	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|N<3>,1|O<2>,2|H<1>}	109.0160	0.000	1	109.0160	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	108.9000	0.413	2	108.9000	0.171	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	107.1045	1.271	2	107.6908	1.027	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	108.2770	0.303	2	107.6908	1.027	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	109.4690	0.000	1	109.4690	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.3130	0.000	1	108.3130	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	107.1130	0.000	1	107.1130	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.6270	0.000	1	108.6252	0.179	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.6007	0.483	7	108.6252	0.179	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	108.7950	0.000	1	108.6252	0.179	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.3090	0.000	1	108.3090	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.5767	0.373	3	109.5767	0.139	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|N<3>,1|O<2>,2|H<1>}	109.1710	0.000	1	109.1210	0.005	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	109.0710	0.000	1	109.1210	0.005	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.4535	1.271	2	108.4535	1.615	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	109.4232	0.093	4	109.4232	0.009	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	107.4405	3.330	2	107.4405	11.087	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.2130	0.139	2	109.2130	0.019	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|I<1>,1|O<2>,2|H<1>}	108.7730	0.000	1	108.5445	0.560	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	107.6230	0.000	1	108.5445	0.560	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	108.8910	0.734	2	108.5445	0.560	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.7880	0.000	1	108.7880	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3040	0.000	1	109.3040	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	108.7810	0.000	1	108.7810	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	107.9337	0.929	3	107.9337	0.862	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	110.0630	3.075	7	110.0630	9.458	7	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.0850	0.000	1	110.0850	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.7475	0.926	2	108.7475	0.857	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	108.9100	0.000	1	108.9100	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	108.3530	0.000	2	108.3530	0.000	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<1>}	113.2555	1.877	2	111.0280	16.648	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<2>}	106.5730	0.000	1	111.0280	16.648	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	108.8360	0.366	10	108.8360	0.134	10	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,1|O<2>,2|H<1>}	108.7380	0.000	1	108.8837	0.045	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	108.9565	0.241	2	108.8837	0.045	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	109.2315	0.450	4	109.2315	0.203	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<4>,1|O<2>,2|H<1>}	109.2555	0.482	2	109.1432	2.479	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|H<1>,1|O<2>,2|C<4>}	109.1790	0.000	1	109.1432	2.479	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<3>}	109.0220	0.000	1	109.1432	2.479	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	108.8707	0.039	3	109.1432	2.479	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|Se<4>,1|O<2>,2|H<1>}	109.5780	0.000	1	109.1432	2.479	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.1703	2.207	9	109.1432	2.479	17	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	110.2815	2.009	2	109.7534	1.345	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.4013	0.455	3	109.7534	1.345	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<1>}	107.5550	0.000	1	109.2995	5.686	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.4370	0.000	1	109.2995	5.686	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.3872	2.872	12	109.2995	5.686	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.2548	1.114	10	109.2995	5.686	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	109.8340	0.000	1	108.7132	0.886	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.4593	0.760	3	108.7132	0.886	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	107.7720	0.000	1	108.7132	0.886	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.0290	0.465	3	108.7132	0.886	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2400	0.352	5	108.7132	0.886	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5]C)(C[5]C[5]CH){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	109.9980	0.000	1	109.9980	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	109.2221	0.486	10	109.1200	0.327	11	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,3|O<2>}	108.0990	0.000	1	109.1200	0.327	11	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.7602	1.238	4	109.0380	1.522	29	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0458	1.384	13	109.0380	1.522	29	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.1221	1.153	12	109.0380	1.522	29	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.0995	0.155	2	108.0995	0.024	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	108.4100	0.000	1	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	108.9100	0.000	1	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	109.7690	0.000	1	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.7537	0.317	4	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.8935	0.862	13	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8526	0.827	23	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	108.8210	0.459	15	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|H<1>}	110.2523	2.464	6	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2192	0.898	46	109.1204	0.992	110	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.7580	0.143	2	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	108.4850	0.000	1	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.1360	0.000	1	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.9443	0.287	3	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	109.3160	0.000	1	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.2763	0.324	4	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8278	0.473	25	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	108.9463	0.066	3	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.6574	0.799	56	108.7785	0.478	96	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.1990	0.000	1	109.1990	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.6790	0.000	1	109.6790	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.4830	0.000	1	108.4830	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,1|O<1>,1|S<4>}	110.1610	0.000	1	110.1610	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	107.8410	0.000	1	107.8410	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	108.3460	0.000	1	108.3460	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	108.9190	0.000	1	108.9190	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	107.5750	0.000	1	107.5750	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1045	0.128	2	108.1045	0.016	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.2150	0.828	3	109.2150	0.685	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.9490	0.000	1	108.9490	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.3750	0.000	1	109.3750	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.6705	0.052	2	110.6705	0.003	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|Se<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	101.8590	0.000	1	101.8590	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1090	0.000	1	108.1090	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.6540	0.000	1	108.6540	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.2490	0.000	1	109.2490	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	109.0605	1.331	2	109.0605	1.773	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	108.7460	0.000	1	108.7460	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	108.2110	0.000	1	108.2110	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CH){1|H<1>,2|C<3>}	109.8840	0.000	1	109.8840	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	109.5570	0.346	2	109.5010	0.061	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Ru<6>,1|C<3>,2|H<1>}	109.6030	0.000	1	109.5010	0.061	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|C<3>,1|H<1>,1|S<4>}	109.2870	0.000	1	109.5010	0.061	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,2|H<1>}	97.9294	0.000	1	97.9294	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,2|H<1>}	107.5697	1.766	3	107.5697	3.117	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH){2|H<1>,3|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH){2|H<1>,5|C<3>}	109.8650	0.000	1	109.8650	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	105.9150	0.000	1	105.9150	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Cu<6>,1|C<3>,1|N<3>,3|H<1>}	109.6290	0.000	1	109.5095	0.029	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<3>,1|N<3>,3|H<1>}	109.3900	0.000	1	109.5095	0.029	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	109.2830	0.047	2	109.2830	0.002	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	108.9140	0.680	2	108.9140	0.463	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	110.3695	0.721	2	110.3695	0.519	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	109.7430	0.000	1	109.7430	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	108.9743	0.497	3	108.9743	0.247	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	109.9530	0.000	1	109.9530	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|C<4>}	109.2790	0.000	1	109.2790	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>}	108.8500	0.000	1	108.8500	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	109.9970	0.000	1	109.9970	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.3480	0.847	5	107.3480	0.718	5	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.3810	0.000	1	108.6848	0.502	21	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.6500	0.709	20	108.6848	0.502	21	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.1430	0.000	1	109.3872	0.705	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4076	0.874	12	109.3872	0.705	13	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	109.6565	0.626	2	109.6565	0.392	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	111.4525	4.402	2	109.9461	6.281	18	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7578	2.342	16	109.9461	6.281	18	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	110.0690	0.000	1	109.2782	1.762	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.6350	0.601	3	109.2782	1.762	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.1852	1.426	20	109.2782	1.762	24	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	108.7120	0.000	1	108.7120	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.2030	0.000	1	109.2030	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.6210	0.000	1	109.6210	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.4800	0.000	1	109.6806	0.539	7	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7140	0.798	6	109.6806	0.539	7	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8790	0.439	3	108.8790	0.192	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	110.7830	0.000	1	110.7830	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HO)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]HO){1|C<4>,1|H<1>}	110.3865	3.709	2	110.3865	13.755	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.6052	1.145	6	109.6052	1.311	6	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<3>,1|H<1>}	109.1260	0.000	1	109.1260	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.1195	0.452	2	109.4443	0.419	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.0940	0.000	1	109.4443	0.419	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	109.8750	0.000	1	109.8750	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8765	0.435	2	109.8765	0.189	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	92.1892	1.468	2	92.1892	2.154	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.2730	0.000	1	111.1042	6.523	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.3331	2.630	8	111.1042	6.523	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8136	1.274	8	109.8136	1.623	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.1670	0.334	6	109.1670	0.112	6	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|O<2>}	109.7650	0.000	1	109.7650	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	111.1250	0.000	1	111.1250	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.6840	0.267	3	109.6840	0.071	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.1090	0.516	2	110.1090	0.266	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	109.9350	0.300	2	109.9350	0.090	2	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.9580	0.000	1	109.9580	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.5930	0.847	4	109.5930	0.717	4	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.8352	0.680	11	109.8352	0.462	11	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CN)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CN){2|H<1>}	109.9790	0.000	1	109.9790	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	110.0430	0.000	1	110.0430	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.8850	0.000	1	109.8850	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.1780	0.000	1	110.1780	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.3613	0.665	9	110.3613	0.442	9	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.2590	1.975	3	109.2590	3.899	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.0067	0.344	3	110.0067	0.119	3	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.3200	0.000	1	110.3200	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.3745	0.281	8	110.3745	0.079	8	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.3908	0.254	6	110.3908	0.065	6	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.3950	0.000	1	110.3950	0.000	1	109.0560	2.470	818	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(P[5]O[5]OO)	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(P[5]O[5]OO){1|C<4>,1|H<1>}	99.1577	0.835	2	99.1577	0.697	2	99.1577	0.697	2	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|C<3>,2|H<1>}	110.3260	0.011	2	110.3260	0.000	2	110.3260	0.000	2	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	Si[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	H(C[5]C[5]O[5]C)	O[5](Si[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](Si[5]C[5]CC)(C[5]C[5]CH){1|C<3>,1|O<2>,2|H<1>}	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H)	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HH)(C[5]C[5]HP)	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H){4|H<1>}	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HH)(C[5]C[5]HP){4|H<1>}	109.2300	0.000	1	109.2300	0.000	1	109.2300	0.000	1	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HP)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HP)(S[5]N[5]OO){1|C<3>,2|H<1>}	108.8780	0.229	2	107.9324	0.766	5	108.2786	0.984	7	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HP)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){2|O<1>,3|C<3>}	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HP)(S[5]N[5]OO){1|H<1>,2|C<3>}	107.3020	0.121	3	107.9324	0.766	5	108.2786	0.984	7	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H)	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HP)(S[5]N[5]OO)	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H){1|H<1>,2|O<1>}	H(C[5]C[5]O[5]P)	O[5](C[5]C[5]HP)(S[5]N[5]OO){1|C<4>,2|H<1>}	109.1440	0.861	2	109.1440	0.742	2	108.2786	0.984	7	109.0493	2.557	1202	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:2:5:1:	4:	4:4:	C[5]-4:O[5]-2:C-5:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H)	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.9985	0.487	2	108.9985	0.237	2	108.9985	0.237	2	108.9985	0.237	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](N[5,5]C[5,5]O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](N[5,5]C[5,5]O[5])(C[5]C[6a]C[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	109.1200	1.428	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](N[5,6]C[5,6]O[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](N[5,6]C[5,6]O[6])(C[5]C[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	109.1200	1.428	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C[6a]){1|C<4>,1|H<1>,6|C<3>}	110.5710	0.000	1	110.5710	0.000	1	109.2037	1.476	3	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.7910	0.000	1	108.5200	0.147	2	109.2037	1.476	3	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	108.2490	0.000	1	108.5200	0.147	2	109.2037	1.476	3	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	108.8330	0.281	2	108.7036	0.292	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	107.8320	0.000	1	108.7036	0.292	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	109.2410	0.000	1	108.7036	0.292	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	108.7790	0.000	1	108.7036	0.292	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	108.9560	0.058	2	109.0812	0.094	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<4>,1|H<1>,6|C<3>}	108.9600	0.266	2	109.0812	0.094	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<4>,1|H<1>,6|C<3>}	109.5740	0.000	1	109.0812	0.094	5	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|H<1>,3|C<3>}	108.6445	0.520	2	108.6445	0.270	2	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	109.0580	0.000	1	109.0955	0.003	2	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	109.1330	0.000	1	109.0955	0.003	2	108.8860	0.183	14	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[4,5]-3:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[4,5]C[4,5]2)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[4,5]C[4,5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5,6]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5,6]C[5,6]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5,6]C[5,6]2){2|C<3>,3|H<1>,4|C<4>}	108.7715	0.159	2	108.7715	0.025	2	108.7715	0.025	2	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]O[5]O){1|H<1>,3|C<3>}	107.6240	3.145	2	107.6240	9.892	2	107.6240	9.892	2	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(N[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	104.6520	0.000	1	104.6520	0.000	1	104.6520	0.000	1	108.5695	1.633	23	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[3,5]C[6a]O[5])	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	H(C[5]C[3,5]N[5a]O[5])	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[3,5]N[5a]O[5])	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	109.8693	0.147	3	109.8693	0.022	3	109.8693	0.022	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[3,5]N[6a]O[5])	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3,5]N[6a]O[5])	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	109.9470	0.000	1	109.9470	0.000	1	109.5480	0.318	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[3,5]N[6a]O[5])	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[3,5]N[6a]O[5])	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	109.1490	0.000	1	109.1490	0.000	1	109.5480	0.318	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[3x6]N[5]O[5])	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[3x6]N[5]O[5])	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	109.0890	0.187	2	109.0890	0.035	2	109.0890	0.035	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[4,5]C[6a]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[4,5]C[6a]O[5])	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[4,5]C[6a]O[5])	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[4,5]C[6a]O[5])	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.7670	0.000	1	108.7670	0.000	1	108.7865	0.001	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[4,5]C[6a]O[5])	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[4,5]C[6a]O[5])	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH){2|C<3>,2|C<4>,2|H<1>}	108.8060	0.000	1	108.8060	0.000	1	108.7865	0.001	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[6a]O[5])	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	109.3190	0.000	1	109.3190	0.000	1	108.6980	0.771	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H)	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,1|S<4>,6|C<3>}	108.0770	0.000	1	108.0770	0.000	1	108.6980	0.771	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.1470	0.437	2	108.1470	0.191	2	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	108.4170	0.187	2	108.4170	0.035	2	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){2|H<1>,4|C<3>}	108.5650	0.000	1	108.5650	0.000	1	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	108.6540	0.000	1	108.6540	0.000	1	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	108.6820	0.000	1	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	107.4540	0.000	2	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	107.8197	0.239	3	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	108.5430	0.428	24	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	109.1610	0.000	1	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	108.8115	0.221	2	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	109.0410	0.000	1	108.4678	0.270	34	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	108.8390	0.000	1	108.4093	0.150	4	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	108.2370	0.000	1	108.4093	0.150	4	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	108.2805	0.450	2	108.4093	0.150	4	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.7030	0.000	1	108.7030	0.000	1	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	108.5640	0.000	1	108.5640	0.000	1	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	108.2130	0.000	1	108.2130	0.000	1	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	108.1680	0.000	1	108.1680	0.000	1	108.4487	0.214	48	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	H(C[5]C[5,5]N[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]N[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	108.1730	0.000	1	108.8147	2.624	3	108.8147	2.624	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	H(C[5]C[5,5]N[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5]N[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	110.6570	0.000	1	108.8147	2.624	3	108.8147	2.624	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	H(C[5]C[5,5]N[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	107.6140	0.000	1	108.8147	2.624	3	108.8147	2.624	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.8910	0.000	1	109.8910	0.000	1	110.0797	1.165	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	111.2410	0.000	1	111.2410	0.000	1	110.0797	1.165	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5a]O[5])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.1070	0.000	1	109.1070	0.000	1	110.0797	1.165	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|C<3>,1|C<4>,3|H<1>,4|O<2>}	108.5430	0.000	1	108.5430	0.000	1	108.2152	0.412	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|N<3>,1|S<2>,2|C<3>,2|O<2>,3|H<1>}	107.5330	0.000	1	107.5330	0.000	1	108.2152	0.412	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	108.2095	0.971	2	108.3333	0.517	3	108.2152	0.412	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[6]O[5])	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	108.5810	0.000	1	108.3333	0.517	3	108.2152	0.412	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]C[5,5]N[6a]O[5])	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[6a]O[5])	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	107.5730	0.000	1	107.7713	0.035	3	107.7713	0.035	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]C[5,5]N[6a]O[5])	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[6a]O[5])	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,3|O<2>,5|H<1>}	107.8705	0.107	2	107.7713	0.035	3	107.7713	0.035	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[6a]O[5])	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.1815	0.071	2	108.8037	0.431	3	108.4797	0.707	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[6a]O[5])	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	108.0480	0.000	1	108.8037	0.431	3	108.4797	0.707	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]N[6a]O[5])	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	107.5080	0.000	1	107.5080	0.000	1	108.4797	0.707	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H)	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]O[5])	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6,6]HH){1|H<1>,2|C<4>,3|C<3>}	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H){1|H<1>,5|C<3>}	109.5370	0.226	10	109.5370	0.051	10	109.5370	0.051	10	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.6180	0.000	1	108.6180	0.000	1	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H){1|H<1>,7|C<3>}	108.2880	0.000	1	108.2880	0.000	1	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	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]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]O[5])	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>}	108.9420	0.000	1	109.4750	0.285	3	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	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]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]O[5])	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>}	109.4730	0.000	1	109.4750	0.285	3	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	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]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,3|C<4>}	110.0100	0.000	1	109.4750	0.285	3	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)2{2|H<1>,6|C<3>}	108.5610	0.102	2	108.5610	0.010	2	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC){2|C<3>,2|H<1>,2|O<2>}	108.9890	0.000	1	108.9890	0.000	1	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC){1|H<1>,5|C<3>}	108.4130	0.000	1	108.4130	0.000	1	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	108.7640	0.000	1	108.7640	0.000	1	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]O[5])	O[5](C[5]C[5,6]C[6a]H)2{2|H<1>,6|C<3>}	108.0555	0.187	2	108.0555	0.035	2	108.7275	0.329	12	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	110.2780	0.000	1	110.2780	0.000	1	109.8295	1.226	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	110.4340	0.000	2	110.4340	0.000	2	109.8295	1.226	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|O<2>,2|C<3>,2|S<2>,4|H<1>}	108.1720	0.000	1	108.1720	0.000	1	109.8295	1.226	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	109.2820	0.000	1	109.2820	0.000	1	109.5140	0.108	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[6a]O[5])	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	109.7460	0.000	1	109.7460	0.000	1	109.5140	0.108	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	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>}	109.3030	0.000	1	109.3030	0.000	1	109.5960	0.172	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	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>}	109.8890	0.000	1	109.8890	0.000	1	109.5960	0.172	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[5])	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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.3230	0.000	1	109.3230	0.000	1	109.4960	0.060	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	109.6690	0.000	1	109.6690	0.000	1	109.4960	0.060	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	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)	H(C[5]C[5]2O[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>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(S[5]N[5]OO){4|C<3>}	109.7100	0.102	2	109.7100	0.010	2	109.7100	0.010	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.7965	0.324	4	109.7965	0.105	4	109.7965	0.105	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H){1|H<1>,3|C<3>,4|C<4>}	108.9050	0.393	2	108.9050	0.155	2	110.0470	0.899	10	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	110.3325	0.817	8	110.3325	0.668	8	110.0470	0.899	10	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H){4|C<3>,6|H<1>}	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.3522	1.194	4	108.3522	1.425	4	108.3522	1.425	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	109.5300	0.000	1	109.5300	0.000	1	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	H(C[5]C[6a]C[5]O[5])	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>}	109.7653	0.338	9	109.7653	0.114	9	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.0110	0.000	1	109.0110	0.000	1	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	110.1780	0.000	1	110.1780	0.000	1	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	109.5210	0.000	1	109.6052	0.014	5	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	109.6262	0.123	4	109.6052	0.014	5	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.3020	0.000	1	109.3020	0.000	1	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	109.0820	0.256	2	109.4420	0.064	11	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|N<3>,3|C<3>,3|H<1>}	109.5230	0.000	1	109.4420	0.064	11	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	109.5219	0.192	8	109.4420	0.064	11	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	109.4105	0.624	4	109.4105	0.389	4	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	109.8035	0.203	2	109.1090	1.468	3	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	107.7200	0.000	1	109.1090	1.468	3	109.5213	0.219	36	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	107.9160	0.116	2	107.9160	0.013	2	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	107.9030	0.000	1	107.9395	0.003	2	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	107.9760	0.000	1	107.9395	0.003	2	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<4>,2|H<1>,3|C<3>}	108.6560	0.000	1	108.6560	0.000	1	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	107.9580	0.000	1	107.9580	0.000	1	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	108.0500	0.139	2	108.0500	0.019	2	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	107.0060	0.000	1	107.0060	0.000	1	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	109.6770	0.449	4	109.2694	0.823	8	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|C<3>,3|C<4>,4|H<1>}	109.4140	0.300	2	109.2694	0.823	8	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	108.3095	1.586	2	109.2694	0.823	8	108.5639	0.920	17	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	109.6260	0.000	1	109.6260	0.000	1	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH){2|H<1>,4|C<3>}	108.7950	0.000	1	108.7950	0.000	1	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH){1|H<1>,5|C<3>}	108.7210	0.000	1	108.7210	0.000	1	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	107.1690	0.000	1	108.0367	0.586	3	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	108.4705	0.207	2	108.0367	0.586	3	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	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>}	108.8330	0.000	1	108.8330	0.000	1	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	110.7700	0.000	1	110.4225	0.242	2	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.0750	0.000	1	110.4225	0.242	2	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){2|H<1>,4|C<3>}	107.8525	0.114	2	107.8525	0.013	2	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)2{2|H<1>,6|C<3>}	108.9199	0.359	14	108.9199	0.129	14	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,1|H<1>,3|C<3>}	108.7130	0.000	1	108.7130	0.000	1	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	108.9165	0.267	2	108.9165	0.071	2	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH){1|C<4>,3|C<3>}	108.3110	0.000	1	108.3110	0.000	1	108.8403	0.468	29	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO){1|C<4>,1|H<1>,3|C<3>}	108.4180	1.090	3	108.4180	1.189	3	108.3853	0.667	7	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]C[6a]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]C[6a]O[5]O){1|H<1>,5|C<3>}	107.9210	0.488	2	107.9210	0.238	2	108.3853	0.667	7	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]O[5]CW)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(P[5]O[5]CW){1|H<1>,3|C<3>}	108.8005	0.777	2	108.8005	0.604	2	108.3853	0.667	7	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:Si[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(Si[5]N[5]CC)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(Si[5]N[5]CC){1|H<1>,4|C<3>}	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	N[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	H(C[5]C[6a]C[5]O[5])	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	108.9825	0.199	2	108.9825	0.039	2	108.9825	0.039	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]N[5]O[5])	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	109.6310	0.000	1	109.4755	0.048	2	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|C<4>,2|F<1>}	109.3200	0.000	1	109.4755	0.048	2	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	114.0080	0.000	1	114.0080	0.000	1	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	109.6930	0.000	1	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	110.7340	0.000	1	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.8427	2.397	3	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.4155	1.013	2	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,4|H<1>}	110.0180	0.053	4	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.4957	0.342	3	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.4870	0.000	1	109.9221	1.631	15	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.8930	0.000	1	109.4393	7.206	3	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.2125	3.755	2	109.4393	7.206	3	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[6]O[5])	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	109.1796	0.471	25	109.1796	0.222	25	109.5565	1.512	46	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){2|C<3>,2|F<1>,3|H<1>}	109.3660	0.000	1	109.3660	0.000	1	108.9780	0.301	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	108.5900	0.000	1	108.5900	0.000	1	108.9780	0.301	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){1|F<1>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	109.2590	0.000	1	109.2590	0.000	1	109.2372	0.198	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.7220	0.000	1	108.7220	0.000	1	109.2372	0.198	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	108.8950	0.000	1	108.8950	0.000	1	109.2372	0.198	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	109.6550	0.242	2	109.6550	0.058	2	109.2372	0.198	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	109.4120	0.234	3	109.4120	0.055	3	109.3250	0.055	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){2|C<3>,2|O<2>,5|H<1>}	109.3590	0.000	1	109.1945	0.054	2	109.3250	0.055	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	109.0300	0.000	1	109.1945	0.054	2	109.3250	0.055	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.0580	0.269	2	109.0580	0.072	2	109.3710	0.330	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	109.9970	0.000	1	109.9970	0.000	1	109.3710	0.330	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H)	H(C[5]N[5,5]C[6]O[5])	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6]O[5])	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH){1|Fe<6>,1|C<3>,1|N<3>,3|C<4>}	110.3478	0.066	4	110.3478	0.004	4	110.3478	0.004	4	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,6|C<3>}	109.9650	0.000	1	109.9650	0.000	1	109.0845	1.551	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]O[5])	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<4>,5|C<3>}	108.2040	0.000	1	108.2040	0.000	1	109.0845	1.551	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H)	H(C[5]N[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H)	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]N[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H){1|Cu<6>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H)	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H){4|C<3>,5|H<1>}	H(C[5]C[6]N[5]O[5])	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	108.6590	0.078	2	108.6590	0.006	2	108.2024	0.219	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	108.1540	0.000	1	108.1540	0.000	1	108.2024	0.219	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]N[5]O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	107.7700	0.274	2	107.7700	0.075	2	108.2024	0.219	5	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,3|H<1>,8|C<3>}	H(C[5]C[6a]O[5]P[5])	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H){1|C<4>,1|H<1>,8|C<3>}	110.3230	0.000	1	110.2785	0.004	2	110.2785	0.004	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,9|C<3>}	H(C[5]C[6a]O[5]P[5])	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H){9|C<3>}	110.2340	0.000	1	110.2785	0.004	2	110.2785	0.004	2	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]O[5]P[5])	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>}	107.7300	0.000	1	107.7300	0.000	1	108.4160	1.375	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]O[5]P[5])	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>}	107.7480	0.000	1	107.7480	0.000	1	108.4160	1.375	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]O[5]P[5])	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]O[5]P[5])	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>}	109.7700	0.000	1	109.7700	0.000	1	108.4160	1.375	3	109.0774	0.890	309	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:3:2:1:	4:	5:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	Si[4,5]-5:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	H(C[5]C[6a]C[5]O[5])	O[5](Si[4,5]N[4]2O[5]N)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	O[5](Si[4,5]N[4]2O[5]N)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,4|C<3>}	108.6740	1.205	2	108.6740	1.452	2	108.6740	1.452	2	108.6740	1.452	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H)	H(C[5]C[5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	108.8560	3.350	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:P-4:O[5]-2:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HP)(PC[6a]BC)(O[5]N[5])(H)	H(C[5]C[5]O[5]P)	O[5](N[5]C[6a]C[5])(C[5]C[5]HP)	C[5](C[5]C[5]HP)(PC[6a]BC)(O[5]N[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]P)	O[5](N[5]C[6a]C[5])(C[5]C[5]HP){1|P<4>,2|H<1>,3|C<3>}	106.9660	0.313	2	106.9660	0.098	2	106.9660	0.098	2	108.8560	3.350	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	H(C[5]C[5]O[5]S)	O[5](N[5]C[6a]C[5])(C[5]C[5]HS)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]S)	O[5](N[5]C[6a]C[5])(C[5]C[5]HS){1|S<4>,2|H<1>,3|C<3>}	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	108.8560	3.350	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	3:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	N[5,6]-3:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	H(C[5]C[5]C[6]O[5])	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C[6]H)	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,6|H<1>}	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	108.8560	3.350	5	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:2:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(O[5]C[5])	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	B[5]-4:P-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-3:	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H)	H(C[5]B[5]O[5]P)	O[5](C[5]B[5]HP)(S[5]O[5]O)	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H){1|O<2>,4|C<3>}	H(C[5]B[5]O[5]P)	O[5](C[5]B[5]HP)(S[5]O[5]O){2|C<3>}	106.8180	1.984	2	106.8180	3.937	2	106.8180	3.937	2	107.7413	1.521	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(N[5]C[6a]C[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,5|C<3>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	107.7413	1.521	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5,6,6]C[5]O[5])	O[5](C[5]C[5,6,6]C[5]H)(N[5]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,4|H<1>,6|C<4>}	H(C[5]C[5,6,6]C[5]O[5])	O[5](C[5]C[5,6,6]C[5]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.7413	1.521	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5,6]-4:C[3]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H)	H(C[5]C[5,6]C[3]O[5])	O[5](C[5]C[5,6]C[3]H)(N[5]C[5,6]S)	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[3]O[5])	O[5](C[5]C[5,6]C[3]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	107.7413	1.521	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(N[5]C[5]C)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(N[5]C[5]C){1|C<3>,3|C<4>,3|H<1>}	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	107.7413	1.521	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]B[5,5]C[5]O[5])	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]B[5,5]C[5]O[5])	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	109.6600	0.725	3	109.6600	0.525	3	109.6600	0.525	3	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	108.6640	0.000	1	108.6640	0.000	1	108.2320	0.373	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.8000	0.000	1	107.8000	0.000	1	108.2320	0.373	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]O[5])	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,4|H<1>}	H(C[5]C[3,5]C[5]O[5])	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS){1|C<4>,2|O<2>,3|H<1>}	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H){2|C<4>,3|H<1>,3|O<2>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	108.6680	3.171	2	109.5455	4.392	4	109.4974	2.268	7	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.5700	0.000	1	109.5455	4.392	4	109.4974	2.268	7	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){2|C<3>,4|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.2760	0.000	1	109.5455	4.392	4	109.4974	2.268	7	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	109.1360	0.000	1	109.1730	0.003	2	109.4974	2.268	7	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.2100	0.000	1	109.1730	0.003	2	109.4974	2.268	7	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[3]C[5]O[5])	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.9540	0.000	1	109.9540	0.000	1	109.4974	2.268	7	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[4,5]C[6]O[5])	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H){1|N<2>,3|C<4>,7|H<1>}	H(C[5]C[4,5]C[6]O[5])	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH){1|C<3>,2|H<1>,4|C<4>}	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	111.0670	0.000	1	111.0670	0.000	1	109.8939	1.645	9	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.9135	1.060	2	109.9135	1.124	2	109.8939	1.645	9	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	107.9470	0.645	2	107.9470	0.416	2	109.8939	1.645	9	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.9030	0.000	1	110.2355	0.221	2	109.8939	1.645	9	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	110.5680	0.000	1	110.2355	0.221	2	109.8939	1.645	9	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	H(C[5]C[4]C[5]O[5])	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.8930	0.458	2	110.8930	0.210	2	109.8939	1.645	9	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	108.1750	0.000	1	108.1750	0.000	1	108.6995	0.550	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	109.2240	0.000	1	109.2240	0.000	1	108.6995	0.550	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[3]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H)	H(C[5]C[5,5]C[3]O[5])	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H){1|C<2>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[3]O[5])	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO){2|C<4>,2|O<2>,3|H<1>}	108.4535	0.091	2	108.4535	0.008	2	108.4535	0.008	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[4]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[4]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|C<2>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	108.2090	0.000	1	108.2930	0.021	4	108.2930	0.021	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[4]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[4]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	108.4750	0.000	1	108.2930	0.021	4	108.2930	0.021	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[4]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[4]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	108.2440	0.130	2	108.2930	0.021	4	108.2930	0.021	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]2Fe)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]2Fe)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[5]H){1|Fe<10>,1|N<3>,3|C<4>,4|C<3>}	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO){1|H<1>,2|C<3>,4|C<4>}	107.4770	0.057	2	107.4770	0.003	2	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	107.3567	0.768	3	107.3567	0.590	3	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){3|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]2O){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	109.4400	0.000	1	109.4400	0.000	1	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH){1|C<4>,3|H<1>,3|O<2>}	107.9315	0.175	2	107.9315	0.031	2	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CN){1|C<4>,3|H<1>,3|O<2>}	109.4380	0.000	1	109.4380	0.000	1	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH){1|C<4>,3|H<1>,3|O<2>}	108.2110	0.000	1	108.2110	0.000	1	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HN){1|C<4>,3|H<1>,3|O<2>}	108.7870	0.000	1	108.7870	0.000	1	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO){1|C<4>,3|H<1>,3|O<2>}	108.7108	1.072	4	108.7108	1.149	4	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	109.3107	0.276	3	109.3107	0.076	3	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|N<3>,1|S<2>,2|C<3>,2|O<2>,3|H<1>}	108.9340	0.000	1	108.9340	0.000	1	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|C<3>,1|C<4>,3|H<1>,4|O<2>}	110.2740	0.000	1	110.2740	0.000	1	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O[5])	O[5](C[5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.6890	0.413	2	110.6890	0.171	2	108.7329	1.307	22	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,6,6]C[5]O[5])	O[5](C[5]C[5,6,6]C[5]H)(C[5]C[5]HH)	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H){1|Fe<10>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]O[5])	O[5](C[5]C[5,6,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){2|C<4>,2|H<1>}	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	H(C[5]C[5,6]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,6]C[5]H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	108.8830	0.000	1	108.8830	0.000	1	109.4445	0.631	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,6]C[5]O[5])	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])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H){3|C<3>,3|C<4>,3|O<2>,4|H<1>}	110.0060	0.000	1	110.0060	0.000	1	109.4445	0.631	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.0370	0.000	1	107.0370	0.000	1	108.5613	1.960	3	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.8570	0.000	1	108.8570	0.000	1	108.5613	1.960	3	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]O[5]CC)	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]O[5])	O[5](C[5]C[5,6]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.7900	0.000	1	109.7900	0.000	1	108.5613	1.960	3	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	H(C[5]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[5]C[5,6]C[6]O[5])	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|O<2>,4|C<4>}	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{4|H<1>}	108.2670	0.310	9	108.2670	0.096	9	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.6080	0.000	1	108.6080	0.000	1	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.1485	1.273	2	109.1485	1.622	2	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.5373	0.284	3	109.5373	0.081	3	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.3000	0.000	1	111.3000	0.000	1	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	116.0245	0.777	2	116.0245	0.604	2	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>}	108.9380	0.000	1	108.9380	0.000	1	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.9429	0.942	8	108.9429	0.887	8	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8456	1.811	61	109.8456	3.281	61	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	107.7750	1.530	2	107.7750	2.341	2	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8085	0.391	2	108.8085	0.153	2	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.0775	0.167	4	109.0775	0.028	4	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.3590	0.000	1	110.3590	0.000	1	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.6560	0.000	1	110.6560	0.000	1	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.6367	0.458	3	110.6367	0.210	3	109.6706	3.331	101	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|H<1>,2|C<3>}	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	B[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H)	H(C[5]C[5]2O[5])	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H){1|B<4>,1|H<1>,2|N<3>,2|O<2>}	H(C[5]C[5]2O[5])	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.6970	0.000	1	109.6970	0.000	1	109.9755	0.155	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	B[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H)	H(C[5]C[5]2O[5])	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]2O[5])	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	110.2540	0.000	1	110.2540	0.000	1	109.9755	0.155	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<2>,1|H<2>,3|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	107.9370	0.000	1	107.9370	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|H<1>,3|O<2>,6|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	108.4710	0.000	1	108.4710	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	108.4970	0.000	1	108.4970	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	107.6290	0.000	1	108.5160	0.591	3	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	108.9595	0.037	2	108.5160	0.591	3	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	109.8430	0.000	1	109.8430	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	109.6190	0.000	1	109.6190	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	107.9480	0.000	1	107.9480	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	109.6590	0.000	1	108.9548	0.292	5	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	108.9250	0.000	1	108.9548	0.292	5	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	108.7300	0.510	3	108.9548	0.292	5	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H){1|O<2>,4|C<4>,5|H<1>}	108.7830	0.000	1	108.7830	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	109.8733	0.233	3	109.8733	0.054	3	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|H<1>,3|C<4>,3|O<2>}	111.2205	6.843	4	111.2205	46.827	4	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	108.1840	0.000	1	109.1978	0.494	20	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	109.2349	0.321	11	109.1978	0.494	20	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]HO)(O[5]C[5,5])(H){1|Mn<4>,1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|O<2>,2|C<4>,2|O<3>,3|H<1>}	110.2390	1.413	2	109.1978	0.494	20	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	109.1748	0.410	4	109.1978	0.494	20	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	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]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	108.5055	1.300	2	109.1978	0.494	20	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,2|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	109.7880	0.000	1	109.7880	0.000	1	109.2946	4.206	43	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){4|C<4>,7|H<1>}	109.9950	0.000	1	109.9950	0.000	1	109.4195	2.990	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|O<2>,3|C<4>,7|H<1>}	111.4770	0.000	1	111.4770	0.000	1	109.4195	2.990	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<3>,4|C<4>,6|H<1>}	108.7880	0.000	1	108.7880	0.000	1	109.4195	2.990	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5]2O[5])	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H){2|C<4>,2|O<2>,6|H<1>}	107.4180	0.000	1	107.4180	0.000	1	109.4195	2.990	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.6450	0.000	1	109.6450	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.3280	0.000	1	109.3280	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.5003	0.485	3	109.5003	0.235	3	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.7640	1.463	4	110.3509	1.831	19	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.5880	0.000	1	110.3509	1.831	19	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.3760	1.347	12	110.3509	1.831	19	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.2555	0.418	2	110.3509	1.831	19	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.0010	0.000	1	109.8700	0.575	3	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.3045	0.132	2	109.8700	0.575	3	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	109.0540	0.000	1	109.0540	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.4500	0.000	1	109.4500	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2C)(C[5]C[5]2H){1|Fe<10>,4|C<4>,4|F<1>}	108.8360	0.000	1	108.8360	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]3)	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]3){2|Fe<10>,4|F<1>,6|C<4>}	108.2600	0.000	1	108.2600	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	110.1930	0.000	1	110.1930	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.7370	0.000	1	108.7370	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.3180	0.000	2	108.3180	0.000	2	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.4190	0.105	2	109.4190	0.011	2	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	108.6637	0.293	10	108.6637	0.086	10	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<4>,2|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	108.8030	0.000	2	108.8030	0.000	2	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.4280	0.000	1	109.4280	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	108.8200	0.000	1	109.5233	0.394	3	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.8750	0.214	2	109.5233	0.394	3	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	106.9990	0.519	2	106.9990	0.269	2	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2C)(C[5]C[5]2H){2|O<2>,3|C<4>,5|H<1>}	108.2875	0.282	4	108.2875	0.079	4	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	108.2640	0.000	2	108.0930	0.116	4	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	107.9220	0.481	2	108.0930	0.116	4	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)2{2|O<2>,4|C<4>,4|H<1>}	108.5845	0.104	2	108.5845	0.011	2	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.4410	0.000	1	108.4410	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.5530	0.000	1	109.4048	0.395	5	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	109.9860	0.000	2	109.4048	0.395	5	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.7495	0.152	2	109.4048	0.395	5	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.7860	0.000	1	110.1899	4.048	14	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	108.5150	0.000	1	110.1899	4.048	14	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.4465	2.068	12	110.1899	4.048	14	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.2510	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	112.0740	3.929	4	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.8760	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	110.1550	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Cl<1>,1|N<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.2030	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,1|P<4>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.9710	0.390	4	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	108.0050	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.7191	2.115	26	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	111.5150	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.9200	0.758	3	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<2>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	109.6910	0.000	1	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.7220	1.493	4	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.7070	0.000	2	110.6127	3.835	50	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.5403	3.267	3	111.4220	7.708	5	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7445	0.322	2	111.4220	7.708	5	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.8630	0.000	1	107.8630	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<5>,2|H<1>,5|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	116.3290	0.000	1	116.3290	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,1|S<2>,3|H<1>}	109.7550	0.000	1	109.7550	0.000	1	109.9476	3.346	143	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:S[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	H(C[5]C[5]2O[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]H)(O[5]S[5])(H){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	H(C[5]C[5]2O[5])	O[5](C[5]C[5]2H)(S[5]N[5]OO){2|H<1>,4|C<3>}	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	P[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H)	H(C[5]C[5]2O[5])	O[5](P[5]O[5]IrO)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H){1|Ir<6>,2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2O[5])	O[5](P[5]O[5]IrO)(C[5]C[5]2H){1|O<2>,2|C<4>,2|H<1>}	109.1100	0.706	4	109.1100	0.498	4	109.1100	0.498	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	B[5,5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	H(C[5]C[5]C[6]O[5])	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H){1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.6505	0.634	2	108.6505	0.402	2	108.6505	0.402	2	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){1|C<3>,3|H<1>,4|C<4>}	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	107.3940	0.000	1	107.3940	0.000	1	109.6420	1.694	5	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.8960	0.122	2	109.8960	0.015	2	109.6420	1.694	5	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|O<2>,3|H<1>}	110.5120	0.257	2	110.5120	0.066	2	109.6420	1.694	5	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H)	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]CH)(C[5]C[5]HS)	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]CH)(C[5]C[5]HS){1|C<4>,3|H<1>}	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:N[5]-4:	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(N[5]C[5]CH)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]S)	O[5](C[5]C[5]HS)(N[5]C[5]CH){1|C<3>,1|S<4>,2|H<1>}	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<3>,3|C<4>,3|H<1>}	107.0700	0.000	1	109.3793	16.780	3	109.4320	11.198	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){3|H<1>,5|C<4>}	110.5340	5.056	2	109.3793	16.780	3	109.4320	11.198	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5]C[5]C[6]O[5])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<4>,3|H<1>,3|O<2>}	109.5900	0.000	1	109.5900	0.000	1	109.4320	11.198	4	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,7|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.5220	0.000	1	108.5220	0.000	1	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.3795	0.494	4	110.3795	0.244	4	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	110.4985	0.049	2	110.0140	0.705	3	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	109.0450	0.000	1	110.0140	0.705	3	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	106.7290	0.000	1	106.9710	0.117	2	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	107.2130	0.000	1	106.9710	0.117	2	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	108.8970	0.321	2	108.8970	0.103	2	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	107.8295	0.221	2	107.8295	0.049	2	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	H(C[5]C[5]C[6]O[5])	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|Se<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	107.2430	0.000	1	107.2430	0.000	1	108.9813	1.958	15	109.5802	3.209	394	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	5:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	P[5]-5:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	H(C[5]C[5]2O[5])	O[5](P[5]O[5]O3)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	H(C[5]C[5]2O[5])	O[5](P[5]O[5]O3)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>}	110.2278	0.202	4	110.0287	0.137	6	110.0287	0.137	6	110.0287	0.137	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	4:4:2:1:	4:	5:4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	P[5]-5:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	H(C[5]C[5]2O[5])	O[5](P[5]O[5]O3)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	H(C[5]C[5]2O[5])	O[5](P[5]O[5]O3)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>}	109.6305	0.292	2	110.0287	0.137	6	110.0287	0.137	6	110.0287	0.137	6	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	5:2:1:1:	4:	4:4:	C[5]-5:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CHW)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CHW)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	O[5](C[5]C[5]HH)2{1|C<4>,1|W<9>,2|H<1>}	109.9135	0.023	2	109.9135	0.001	2	109.9135	0.001	2	109.9135	0.001	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	6:2:1:1:	4:	4:4:	C[3x3,4x5,12x6]-6:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(O[5]C[5])(H)2	H(C[5]C[3x3,4x5,12x6]O[5]H)	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(O[5]C[5])(H)2{5|B<6>,5|H<1>}	H(C[5]C[3x3,4x5,12x6]O[5]H)	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH){1|Ir<9>,5|B<6>}	110.0650	0.031	2	110.0650	0.001	2	110.0650	0.001	2	110.1765	0.017	4	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	6:2:1:1:	4:	4:4:	C[5x3,4x5,11x6]-6:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2	H(C[5]C[5x3,4x5,11x6]O[5]H)	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2{1|Ir<9>,4|B<6>,6|H<1>}	H(C[5]C[5x3,4x5,11x6]O[5]H)	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH){1|Ir<9>,5|B<6>}	110.2880	0.018	2	110.2880	0.000	2	110.2880	0.000	2	110.1765	0.017	4	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	6:3:2:1:	4:	4:4:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5x3,6x5,20x6]C[6a]O[5])	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	H(C[5]C[5x3,6x5,20x6]C[6a]O[5])	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2{4|C<3>,6|B<6>}	108.8430	0.365	2	108.8430	0.133	2	108.8430	0.133	2	108.8430	0.133	2	110.1379	1.603	15915	110.3072	2.201	19545
474	951	976	0:SP3_SP-NON_SP3	C[5]	H	O[5]	6:4:2:1:	4:	4:4:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5x3,5x5,20x6]C[5]O[5])	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	H(C[5]C[5x3,5x5,20x6]C[5]O[5])	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH){1|C<6>,4|B<6>,4|H<1>}	107.9290	0.897	2	107.9290	0.804	2	107.9290	0.804	2	107.9290	0.804	2	110.1379	1.603	15915	110.3072	2.201	19545